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gromacs-2019.6-2.4 RPM for armv6hl

From OpenSuSE Ports Tumbleweed for armv6hl

Name: gromacs Distribution: openSUSE Tumbleweed
Version: 2019.6 Vendor: openSUSE
Release: 2.4 Build date: Fri Feb 12 12:58:03 2021
Group: Productivity/Scientific/Chemistry Build host: obs-arm-5
Size: 5746348 Source RPM: gromacs-2019.6-2.4.src.rpm
Packager: http://bugs.opensuse.org
Url: http://www.gromacs.org
Summary: Molecular Dynamics Package
GROMACS is a versatile and extremely well optimized package to perform
molecular dynamics computer simulations and subsequent trajectory analysis.
It is developed for biomolecules like proteins, but the extremely high
performance means it is used also in several other field like polymer chemistry
and solid state physics.

Provides

Requires

License

GPL-2.0-or-later AND Apache-2.0

Changelog

* Mon Jul 27 2020 Michel Normand <normand@linux.vnet.ibm.com>
  - Increase default disk size from 3 to 6GB in _constraints file
* Fri Feb 28 2020 Christoph Junghans <junghans@votca.org>
  - - version bump to 2019.6 details here:
    http://manual.gromacs.org/documentation/2019.6/release-notes/2019/2019.6.html
    Hightlights:
    - Actually fix PME forces with FE without perturbed q/LJ
    - Avoid overzealous program abort with orientation restraints
    - Calculate Coulomb and LJ reciprocal terms in rerun
    - Added check for inconsistent input of distance restraint labels in gmx disre.
    - Fix compiler errors with Intel compiler
    - Avoid cryptic GPU detection errors when devices are unavailable or out of memory
* Mon Dec 23 2019 Christoph Junghans <junghans@votca.org>
  - version bump to 2019.5 details here:
    http://manual.gromacs.org/documentation/2019.5/release-notes/2019/2019.5.html
    Hightlights:
    - Fix use of uninitialized data on PME only ranks
    - Fix out of range memory access with free-energy calculations
    - Fix error with intermolecular interactions and domain decomposition
    - Fix issues with AWH with pull-geometry ‘direction’ to be periodic
    - Remove assertion failure with AWH when not using the initial stage
    - Fix dihedral angle calculation near 180 degree boundary
    - Remove problematic output of gmx angle tool
    - Check that libhwloc headers and runtime match
    - Fix .gro file formatting with large boxes
    - Fix duplicate PDB CONECT record output
* Fri Nov 15 2019 Christoph Junghans <junghans@votca.org>
  - version bump to 2019.4 details here:
    http://manual.gromacs.org/documentation/2019.4/release-notes/2019/2019.4.html
    Hightlights:
    - Fix incorrect pressure when atoms in CMAP cross a box boundary
    - Fix incorrect LJ cut-off on GPU when rvdw < rcoulomb
    - Fix (unlikely) missing bonded forces with CUDA GPUs and domain decomposition
    - Fix incorrect reporting of final kinetic energy and temperature
    - Fix segmentation fault in grompp and mdrun with cosine COM pulling
    - Fix grompp not adding angle constraints between constraints
    - Fix gmx wham with angle and dihedral geometries
    - Fix bug in gmx xpm2ps
    - Fix bug in gmx anaeig
    - Fix issue with demux.pl script
    - Fixed writing of gro files with index groups
    - Made gmx make_ndx keep chain IDs
    - Fixes that affect portability
* Wed May 08 2019 Christoph Junghans <junghans@votca.org>
  - version bump to 2019.2 details here:
    http://manual.gromacs.org/documentation/2019.2/release-notes/2019/2019.2.html
    Hightlights:
    - Fix L-BGFS minimizer
    - Disallow pull geometry direction-periodic with AWH
    - Fixed mdrun -nsteps option
    - gmx cluster -clndx indices now correct
    - gmx editconf -f in.pdb -o out.pdb again preserves chain IDs
    - Tools again accept .tpr files as input
    - Fix segmentation fault when preparing simulated annealing inputs
    - Fix error in AVX 512 detection code
    - Added warning with the use of GROMOS force fields
    - Prevented internal build of FFTW with clang and AVX-512 SIMD
    - Updated performance guide for recent Intel processors with AVX512 instruction support
* Tue Feb 26 2019 Klaus Kämpf <kkaempf@suse.com>
  - add fdupes
* Mon Feb 25 2019 Christoph Junghans <junghans@votca.org>
  - version bump to 2019.1 details here:
    http://manual.gromacs.org/documentation/2019.1/release-notes/2019/2019.1.html
    Hightlights:
    - Fix error with 2D/3D dynamic load balancing
    - Fix incorrect LJ repulsion force switching on GPUs
    - Fix segmentation fault in mdrun with domain decomposition
    - Fix segmentation fault with energy minimization with the group scheme
    - Correct free-energy Delta H output with mass lambda’s
    - Prevent mdrun -rerun from writing incorrect free-energy output
    - Fix possible division by zero in enforced-rotation code
    - Fix trjconv -ndec
    - Fix using index file groups when .tpr file not supplied
    - Fix tune_pme
    - Fixes that affect portability
    - Explicitly require 64-bit platforms for OpenCL
* Tue Nov 13 2018 Christoph Junghans <junghans@votca.org>
  - version bump to 2018.4 details here:
    http://manual.gromacs.org/documentation/2018.4/release-notes/2018/2018.4.html
    Highlights:
    - Correct PME forces with free energy without perturbed charges/LJ
    - Add constraint contribution to foreign Hamiltonian differences
    - Add mass contribution to foreign Hamiltonian differences
    - Work around bugs with expanded ensemble runs
    - Checkpoint continuations require suitable .tpr files
    - Fix mindist output file checks
    - Fix gmx helix segmentation faults
    - Fix bug in entropy calculation in gmx anaeig
    - Fixed an issue where the log file could sometimes report an incorrect initial dynamic load balancing state
    - Fix Bromine parameters in amber forcefield files
    - Made normal-mode analysis work for more than one molecule
    - Disallow rerun using same filename as output file
    - Fix issue when building GROMACS without TNG
* Wed Nov 07 2018 Christoph Junghans <junghans@votca.org>
  - version bump to 2018.3 details here:
    http://manual.gromacs.org/documentation/2018.3/release-notes/2018/2018.3.html
    Highlights:
    - Multi-domain GPU runs can no longer miss pair interactions
    - Fix Conjugate Gradient assertion failure at end of minimization
    - Multi-domain Conjugate Gradient minimimization no longer segfaults.
    - Fix pairlist buffer with Brownian Dynamics
    - Avoid “atom moved to far” errors
    - grompp now checks that pull groups are not close to half the box size
    - Fixed segmentation fault in mdrun with QM/MM ONIOM scheme
    - Fixed syntax error in make_gromos_rtp.py
    - Fix gmx solvate topology updating
    - Fix bfactor output error caused by fix for Issue 2511
    - Made sure that gmx rms can skip values
    - Fix trjconv when not providing structure file
    - Fix enforced rotation energy output
    - Fix nvcc host compiler check triggering
    - Report up to date hwloc version information
    - Disable single compilation unit with CUDA 9.0
    - Avoid aborting mdrun when GPU sanity check detects errors
    - Improve OpenCL kernel performance on AMD Vega GPUs
* Sat Jul 21 2018 junghans@votca.org
  - version bump to 2018.2 details here:
    http://manual.gromacs.org/documentation/2018.2/release-notes/2018/2018.2.html
    Highlights:
    - Prevented OpenCL timing memory leak
    - Fixed MPI error after constraint failure during energy minimization
    - Fixed moving frozen atoms with constraints
    - Fixed COM removal moving frozen atoms
* Wed Apr 04 2018 junghans@votca.org
  - version bump to 2018.1 details here:
    http://manual.gromacs.org/documentation/2018.1/release-notes/2018/2018.1.html
    Highlights:
    - Fixed leap-frog integrator with Nose-Hoover T coupling and Parrinello-Rahman P coupling
    - Used SIMD bondeds without perturbed interactions
    - Fixed bonds whose displacement was zero
    - Fixed centre-of-mass motion removal on part of the system
    - Fixed multi-simulations with multiple ranks per simulation
    - Improved inter-simulation signalling implementation
    - Fixed FEP calculations with SHAKE
    - Fixed handling of mdp define statement assigning preprocessor values
    - Prevented log file energy average printing dividing by zero
* Fri Mar 23 2018 guillaume.gardet@opensuse.org
  - Add _constraints file to avoid build failure and timeout on tests
    for slow CPU workers
* Fri Jan 19 2018 junghans@votca.org
  - version bump to 2018 details here:
    http://manual.gromacs.org/documentation/2018/ReleaseNotes/index.html
    Highlights:
    - A new dual-list dynamic-pruning algorithm for the short-ranged interactions
    - PME long-ranged interactions can now run on a single GPU
    - AWH (Accelerated Weight Histogram) method is now supported
    - A physical validation suite is added, which runs a series of short simulations
    - Conserved quantities are computed and reported for more integration schemes
  - disable GPU on ppc64le, build error
  - use internal tinyxml2 as tinxml-6 is broken with gromacs, only testing is build it anyhow

Files

/usr/bin/demux.pl
/usr/bin/gmx
/usr/bin/xplor2gmx.pl
/usr/share/gromacs
/usr/share/gromacs/top
/usr/share/gromacs/top/README
/usr/share/gromacs/top/amber03.ff
/usr/share/gromacs/top/amber03.ff/aminoacids.arn
/usr/share/gromacs/top/amber03.ff/aminoacids.c.tdb
/usr/share/gromacs/top/amber03.ff/aminoacids.hdb
/usr/share/gromacs/top/amber03.ff/aminoacids.n.tdb
/usr/share/gromacs/top/amber03.ff/aminoacids.r2b
/usr/share/gromacs/top/amber03.ff/aminoacids.rtp
/usr/share/gromacs/top/amber03.ff/aminoacids.vsd
/usr/share/gromacs/top/amber03.ff/atomtypes.atp
/usr/share/gromacs/top/amber03.ff/dna.arn
/usr/share/gromacs/top/amber03.ff/dna.hdb
/usr/share/gromacs/top/amber03.ff/dna.r2b
/usr/share/gromacs/top/amber03.ff/dna.rtp
/usr/share/gromacs/top/amber03.ff/ffbonded.itp
/usr/share/gromacs/top/amber03.ff/ffnonbonded.itp
/usr/share/gromacs/top/amber03.ff/forcefield.doc
/usr/share/gromacs/top/amber03.ff/forcefield.itp
/usr/share/gromacs/top/amber03.ff/ions.itp
/usr/share/gromacs/top/amber03.ff/rna.arn
/usr/share/gromacs/top/amber03.ff/rna.hdb
/usr/share/gromacs/top/amber03.ff/rna.r2b
/usr/share/gromacs/top/amber03.ff/rna.rtp
/usr/share/gromacs/top/amber03.ff/spc.itp
/usr/share/gromacs/top/amber03.ff/spce.itp
/usr/share/gromacs/top/amber03.ff/tip3p.itp
/usr/share/gromacs/top/amber03.ff/tip4p.itp
/usr/share/gromacs/top/amber03.ff/tip4pew.itp
/usr/share/gromacs/top/amber03.ff/tip5p.itp
/usr/share/gromacs/top/amber03.ff/urea.itp
/usr/share/gromacs/top/amber03.ff/watermodels.dat
/usr/share/gromacs/top/amber94.ff
/usr/share/gromacs/top/amber94.ff/aminoacids.arn
/usr/share/gromacs/top/amber94.ff/aminoacids.c.tdb
/usr/share/gromacs/top/amber94.ff/aminoacids.hdb
/usr/share/gromacs/top/amber94.ff/aminoacids.n.tdb
/usr/share/gromacs/top/amber94.ff/aminoacids.r2b
/usr/share/gromacs/top/amber94.ff/aminoacids.rtp
/usr/share/gromacs/top/amber94.ff/aminoacids.vsd
/usr/share/gromacs/top/amber94.ff/atomtypes.atp
/usr/share/gromacs/top/amber94.ff/dna.arn
/usr/share/gromacs/top/amber94.ff/dna.hdb
/usr/share/gromacs/top/amber94.ff/dna.r2b
/usr/share/gromacs/top/amber94.ff/dna.rtp
/usr/share/gromacs/top/amber94.ff/ffbonded.itp
/usr/share/gromacs/top/amber94.ff/ffnonbonded.itp
/usr/share/gromacs/top/amber94.ff/forcefield.doc
/usr/share/gromacs/top/amber94.ff/forcefield.itp
/usr/share/gromacs/top/amber94.ff/ions.itp
/usr/share/gromacs/top/amber94.ff/rna.arn
/usr/share/gromacs/top/amber94.ff/rna.hdb
/usr/share/gromacs/top/amber94.ff/rna.r2b
/usr/share/gromacs/top/amber94.ff/rna.rtp
/usr/share/gromacs/top/amber94.ff/spc.itp
/usr/share/gromacs/top/amber94.ff/spce.itp
/usr/share/gromacs/top/amber94.ff/tip3p.itp
/usr/share/gromacs/top/amber94.ff/tip4p.itp
/usr/share/gromacs/top/amber94.ff/tip4pew.itp
/usr/share/gromacs/top/amber94.ff/tip5p.itp
/usr/share/gromacs/top/amber94.ff/urea.itp
/usr/share/gromacs/top/amber94.ff/watermodels.dat
/usr/share/gromacs/top/amber96.ff
/usr/share/gromacs/top/amber96.ff/aminoacids.arn
/usr/share/gromacs/top/amber96.ff/aminoacids.c.tdb
/usr/share/gromacs/top/amber96.ff/aminoacids.hdb
/usr/share/gromacs/top/amber96.ff/aminoacids.n.tdb
/usr/share/gromacs/top/amber96.ff/aminoacids.r2b
/usr/share/gromacs/top/amber96.ff/aminoacids.rtp
/usr/share/gromacs/top/amber96.ff/aminoacids.vsd
/usr/share/gromacs/top/amber96.ff/atomtypes.atp
/usr/share/gromacs/top/amber96.ff/dna.arn
/usr/share/gromacs/top/amber96.ff/dna.hdb
/usr/share/gromacs/top/amber96.ff/dna.r2b
/usr/share/gromacs/top/amber96.ff/dna.rtp
/usr/share/gromacs/top/amber96.ff/ffbonded.itp
/usr/share/gromacs/top/amber96.ff/ffnonbonded.itp
/usr/share/gromacs/top/amber96.ff/forcefield.doc
/usr/share/gromacs/top/amber96.ff/forcefield.itp
/usr/share/gromacs/top/amber96.ff/ions.itp
/usr/share/gromacs/top/amber96.ff/rna.arn
/usr/share/gromacs/top/amber96.ff/rna.hdb
/usr/share/gromacs/top/amber96.ff/rna.r2b
/usr/share/gromacs/top/amber96.ff/rna.rtp
/usr/share/gromacs/top/amber96.ff/spc.itp
/usr/share/gromacs/top/amber96.ff/spce.itp
/usr/share/gromacs/top/amber96.ff/tip3p.itp
/usr/share/gromacs/top/amber96.ff/tip4p.itp
/usr/share/gromacs/top/amber96.ff/tip4pew.itp
/usr/share/gromacs/top/amber96.ff/tip5p.itp
/usr/share/gromacs/top/amber96.ff/urea.itp
/usr/share/gromacs/top/amber96.ff/watermodels.dat
/usr/share/gromacs/top/amber99.ff
/usr/share/gromacs/top/amber99.ff/aminoacids.arn
/usr/share/gromacs/top/amber99.ff/aminoacids.c.tdb
/usr/share/gromacs/top/amber99.ff/aminoacids.hdb
/usr/share/gromacs/top/amber99.ff/aminoacids.n.tdb
/usr/share/gromacs/top/amber99.ff/aminoacids.r2b
/usr/share/gromacs/top/amber99.ff/aminoacids.rtp
/usr/share/gromacs/top/amber99.ff/aminoacids.vsd
/usr/share/gromacs/top/amber99.ff/atomtypes.atp
/usr/share/gromacs/top/amber99.ff/dna.arn
/usr/share/gromacs/top/amber99.ff/dna.hdb
/usr/share/gromacs/top/amber99.ff/dna.r2b
/usr/share/gromacs/top/amber99.ff/dna.rtp
/usr/share/gromacs/top/amber99.ff/ffbonded.itp
/usr/share/gromacs/top/amber99.ff/ffnonbonded.itp
/usr/share/gromacs/top/amber99.ff/forcefield.doc
/usr/share/gromacs/top/amber99.ff/forcefield.itp
/usr/share/gromacs/top/amber99.ff/ions.itp
/usr/share/gromacs/top/amber99.ff/rna.arn
/usr/share/gromacs/top/amber99.ff/rna.hdb
/usr/share/gromacs/top/amber99.ff/rna.r2b
/usr/share/gromacs/top/amber99.ff/rna.rtp
/usr/share/gromacs/top/amber99.ff/spc.itp
/usr/share/gromacs/top/amber99.ff/spce.itp
/usr/share/gromacs/top/amber99.ff/tip3p.itp
/usr/share/gromacs/top/amber99.ff/tip4p.itp
/usr/share/gromacs/top/amber99.ff/tip4pew.itp
/usr/share/gromacs/top/amber99.ff/tip5p.itp
/usr/share/gromacs/top/amber99.ff/urea.itp
/usr/share/gromacs/top/amber99.ff/watermodels.dat
/usr/share/gromacs/top/amber99sb-ildn.ff
/usr/share/gromacs/top/amber99sb-ildn.ff/aminoacids.arn
/usr/share/gromacs/top/amber99sb-ildn.ff/aminoacids.c.tdb
/usr/share/gromacs/top/amber99sb-ildn.ff/aminoacids.hdb
/usr/share/gromacs/top/amber99sb-ildn.ff/aminoacids.n.tdb
/usr/share/gromacs/top/amber99sb-ildn.ff/aminoacids.r2b
/usr/share/gromacs/top/amber99sb-ildn.ff/aminoacids.rtp
/usr/share/gromacs/top/amber99sb-ildn.ff/aminoacids.vsd
/usr/share/gromacs/top/amber99sb-ildn.ff/atomtypes.atp
/usr/share/gromacs/top/amber99sb-ildn.ff/dna.arn
/usr/share/gromacs/top/amber99sb-ildn.ff/dna.hdb
/usr/share/gromacs/top/amber99sb-ildn.ff/dna.r2b
/usr/share/gromacs/top/amber99sb-ildn.ff/dna.rtp
/usr/share/gromacs/top/amber99sb-ildn.ff/ffbonded.itp
/usr/share/gromacs/top/amber99sb-ildn.ff/ffnonbonded.itp
/usr/share/gromacs/top/amber99sb-ildn.ff/forcefield.doc
/usr/share/gromacs/top/amber99sb-ildn.ff/forcefield.itp
/usr/share/gromacs/top/amber99sb-ildn.ff/ions.itp
/usr/share/gromacs/top/amber99sb-ildn.ff/rna.arn
/usr/share/gromacs/top/amber99sb-ildn.ff/rna.hdb
/usr/share/gromacs/top/amber99sb-ildn.ff/rna.r2b
/usr/share/gromacs/top/amber99sb-ildn.ff/rna.rtp
/usr/share/gromacs/top/amber99sb-ildn.ff/spc.itp
/usr/share/gromacs/top/amber99sb-ildn.ff/spce.itp
/usr/share/gromacs/top/amber99sb-ildn.ff/tip3p.itp
/usr/share/gromacs/top/amber99sb-ildn.ff/tip4p.itp
/usr/share/gromacs/top/amber99sb-ildn.ff/tip4pew.itp
/usr/share/gromacs/top/amber99sb-ildn.ff/tip5p.itp
/usr/share/gromacs/top/amber99sb-ildn.ff/urea.itp
/usr/share/gromacs/top/amber99sb-ildn.ff/watermodels.dat
/usr/share/gromacs/top/amber99sb.ff
/usr/share/gromacs/top/amber99sb.ff/aminoacids.arn
/usr/share/gromacs/top/amber99sb.ff/aminoacids.c.tdb
/usr/share/gromacs/top/amber99sb.ff/aminoacids.hdb
/usr/share/gromacs/top/amber99sb.ff/aminoacids.n.tdb
/usr/share/gromacs/top/amber99sb.ff/aminoacids.r2b
/usr/share/gromacs/top/amber99sb.ff/aminoacids.rtp
/usr/share/gromacs/top/amber99sb.ff/aminoacids.vsd
/usr/share/gromacs/top/amber99sb.ff/atomtypes.atp
/usr/share/gromacs/top/amber99sb.ff/dna.arn
/usr/share/gromacs/top/amber99sb.ff/dna.hdb
/usr/share/gromacs/top/amber99sb.ff/dna.r2b
/usr/share/gromacs/top/amber99sb.ff/dna.rtp
/usr/share/gromacs/top/amber99sb.ff/ffbonded.itp
/usr/share/gromacs/top/amber99sb.ff/ffnonbonded.itp
/usr/share/gromacs/top/amber99sb.ff/forcefield.doc
/usr/share/gromacs/top/amber99sb.ff/forcefield.itp
/usr/share/gromacs/top/amber99sb.ff/ions.itp
/usr/share/gromacs/top/amber99sb.ff/rna.arn
/usr/share/gromacs/top/amber99sb.ff/rna.hdb
/usr/share/gromacs/top/amber99sb.ff/rna.r2b
/usr/share/gromacs/top/amber99sb.ff/rna.rtp
/usr/share/gromacs/top/amber99sb.ff/spc.itp
/usr/share/gromacs/top/amber99sb.ff/spce.itp
/usr/share/gromacs/top/amber99sb.ff/tip3p.itp
/usr/share/gromacs/top/amber99sb.ff/tip4p.itp
/usr/share/gromacs/top/amber99sb.ff/tip4pew.itp
/usr/share/gromacs/top/amber99sb.ff/tip5p.itp
/usr/share/gromacs/top/amber99sb.ff/urea.itp
/usr/share/gromacs/top/amber99sb.ff/watermodels.dat
/usr/share/gromacs/top/amberGS.ff
/usr/share/gromacs/top/amberGS.ff/aminoacids.arn
/usr/share/gromacs/top/amberGS.ff/aminoacids.c.tdb
/usr/share/gromacs/top/amberGS.ff/aminoacids.hdb
/usr/share/gromacs/top/amberGS.ff/aminoacids.n.tdb
/usr/share/gromacs/top/amberGS.ff/aminoacids.r2b
/usr/share/gromacs/top/amberGS.ff/aminoacids.rtp
/usr/share/gromacs/top/amberGS.ff/aminoacids.vsd
/usr/share/gromacs/top/amberGS.ff/atomtypes.atp
/usr/share/gromacs/top/amberGS.ff/dna.arn
/usr/share/gromacs/top/amberGS.ff/dna.hdb
/usr/share/gromacs/top/amberGS.ff/dna.r2b
/usr/share/gromacs/top/amberGS.ff/dna.rtp
/usr/share/gromacs/top/amberGS.ff/ffbonded.itp
/usr/share/gromacs/top/amberGS.ff/ffnonbonded.itp
/usr/share/gromacs/top/amberGS.ff/forcefield.doc
/usr/share/gromacs/top/amberGS.ff/forcefield.itp
/usr/share/gromacs/top/amberGS.ff/ions.itp
/usr/share/gromacs/top/amberGS.ff/rna.arn
/usr/share/gromacs/top/amberGS.ff/rna.hdb
/usr/share/gromacs/top/amberGS.ff/rna.r2b
/usr/share/gromacs/top/amberGS.ff/rna.rtp
/usr/share/gromacs/top/amberGS.ff/spc.itp
/usr/share/gromacs/top/amberGS.ff/spce.itp
/usr/share/gromacs/top/amberGS.ff/tip3p.itp
/usr/share/gromacs/top/amberGS.ff/tip4p.itp
/usr/share/gromacs/top/amberGS.ff/tip4pew.itp
/usr/share/gromacs/top/amberGS.ff/tip5p.itp
/usr/share/gromacs/top/amberGS.ff/urea.itp
/usr/share/gromacs/top/amberGS.ff/watermodels.dat
/usr/share/gromacs/top/atom_nom.tbl
/usr/share/gromacs/top/atommass.dat
/usr/share/gromacs/top/bonds.dlg
/usr/share/gromacs/top/ca-shift.dat
/usr/share/gromacs/top/cb-shift.dat
/usr/share/gromacs/top/charmm27.ff
/usr/share/gromacs/top/charmm27.ff/aminoacids.arn
/usr/share/gromacs/top/charmm27.ff/aminoacids.c.tdb
/usr/share/gromacs/top/charmm27.ff/aminoacids.hdb
/usr/share/gromacs/top/charmm27.ff/aminoacids.n.tdb
/usr/share/gromacs/top/charmm27.ff/aminoacids.r2b
/usr/share/gromacs/top/charmm27.ff/aminoacids.rtp
/usr/share/gromacs/top/charmm27.ff/aminoacids.vsd
/usr/share/gromacs/top/charmm27.ff/atomtypes.atp
/usr/share/gromacs/top/charmm27.ff/cmap.itp
/usr/share/gromacs/top/charmm27.ff/dna.arn
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Fabrice Bellet, Fri Dec 3 23:55:09 2021