Commits · release-3-1-3 · googyer / GROMACS

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Apr 23, 2002
- · bb6aaa53
  lindahl authored Apr 23, 2002
  View commits for tag release-3-1-3 release-3-1-3
  bb6aaa53
Apr 22, 2002
- removed annoying debug matrix dump · e5b97c76
  hess authored Apr 22, 2002
  
  e5b97c76
Apr 18, 2002
- · 2c3877a3
  lindahl authored Apr 18, 2002
  2c3877a3
- fixed g96 writing out of format for 100000 or more residues and 10000000 or... · 02d3835e
  hess authored Apr 18, 2002
  02d3835e
Apr 13, 2002
- · a460327a
  lindahl authored Apr 13, 2002
  a460327a
Apr 11, 2002
- grompp now writes a 'new' style deshuffle ndx file and if necessary also... · 0b7dbe5b
  hess authored Apr 11, 2002
  0b7dbe5b
- grompp can now parse topologies with atomtypes, nonbonded_params and pairs... · 5d5540b6
  hess authored Apr 11, 2002
  5d5540b6
- commented out all multiply defined interactions · dae7e21a
  hess authored Apr 11, 2002
  
  dae7e21a
- pdb2gmx now also complains when H's or O's are missing and now generates a... · eb10c323
  hess authored Apr 11, 2002
  eb10c323
Apr 04, 2002
- added a fatal error for parameters definitions appearing after moleculetype · 7313a5a7
  hess authored Apr 04, 2002
  
  7313a5a7
- removed orires print from averages and fluctuations print · 074c58e1
  hess authored Apr 04, 2002
  
  074c58e1
- fixed a typo, added double precision comments for cg and nm and added an index... · 0710a72b
  hess authored Apr 04, 2002
  0710a72b
- fixed a bug in the missing atoms print, the name and number of the previous residue was printed · 79527ef7
  hess authored Apr 04, 2002
  
  79527ef7
- now com used for fitting is set to zero before calculating the sum, this could... · 91bac5ed
  hess authored Apr 04, 2002
  91bac5ed
Apr 03, 2002
- · 6baa8667
  lindahl authored Apr 03, 2002
  6baa8667
Apr 02, 2002
- · 9d371572
  lindahl authored Apr 02, 2002
  9d371572
- · 18634bb1
  lindahl authored Apr 02, 2002
  18634bb1
- · bc640040
  lindahl authored Apr 02, 2002
  bc640040
- · 87dc254e
  lindahl authored Apr 02, 2002
  87dc254e
Apr 01, 2002
- · fb73b1b8
  lindahl authored Apr 01, 2002
  View commits for tag release-3-1-2 release-3-1-2
  fb73b1b8
Mar 09, 2002
- · 9717d0a5
  lindahl authored Mar 09, 2002
  9717d0a5
Mar 07, 2002
- · 4001bb73
  lindahl authored Mar 07, 2002
  4001bb73
- · a74f14be
  lindahl authored Mar 07, 2002
  View commits for tag release-3-1-1 release-3-1-1
  a74f14be
Mar 01, 2002
- · 363dff25
  lindahl authored Mar 01, 2002
  363dff25
- · 0ab47641
  lindahl authored Mar 01, 2002
  0ab47641
- Merged local copy of pull code into cvs. · c82e92e3
  justin authored Mar 01, 2002
  c82e92e3
- fixed dirty in code get_libdir which modified the PATH env var, this could... · 3cc1c2db
  hess authored Mar 01, 2002
  3cc1c2db
- can now also select on atom type · ec4d33c0
  hess authored Mar 01, 2002
  
  ec4d33c0
- atom types are now copied when reading a tpx file with read_stx_conf · a79f0e53
  hess authored Mar 01, 2002
  
  a79f0e53
Feb 28, 2002
- · 54068e10
  lindahl authored Feb 28, 2002
  View commits for tag release-3-1 release-3-1
  54068e10
- · b3ea823a
  lindahl authored Feb 28, 2002
  b3ea823a
- Forgot to remove the beta designation before creating html and man pages. · 702f847d
  lindahl authored Feb 28, 2002
  702f847d
- Updated copyrgt · b5187b06
  spoel authored Feb 28, 2002
  
  b5187b06
- added option -1 for selecting all orientation restraints · d4e29e9e
  hess authored Feb 28, 2002
  
  d4e29e9e
- added a comment about ld_seed on multiple processors · 11dac0ef
  hess authored Feb 28, 2002
  
  11dac0ef
- Updated copyrgt · ae09046d
  spoel authored Feb 28, 2002
  
  ae09046d
- Updated print statement. · 136afdf5
  spoel authored Feb 28, 2002
  
  136afdf5
- Updated copyrgt · 2d6294be
  spoel authored Feb 28, 2002
  
  2d6294be
- Updated copyrgt · 43609125
  spoel authored Feb 28, 2002
  
  43609125
- Updated copyrght header · a7686fa6
  spoel authored Feb 28, 2002
  
  a7686fa6