Commits · release-3-1-4 · googyer / GROMACS

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Jun 12, 2002
- · dd27b1ae
  lindahl authored Jun 12, 2002
  View commits for tag release-3-1-4 release-3-1-4
  dd27b1ae
Jun 07, 2002
- · afbffbbb
  lindahl authored Jun 07, 2002
  afbffbbb
- · cb07e810
  lindahl authored Jun 07, 2002
  cb07e810
- fixed bug when pbc=no with a triclinic box · 8211b032
  hess authored Jun 07, 2002
  
  8211b032
May 23, 2002
- · 49de3389
  lindahl authored May 23, 2002
  49de3389
May 15, 2002
- fixed a problem with processing orire-fitgrp with could cause a segv · 8ffcab2e
  hess authored May 15, 2002
  
  8ffcab2e
May 13, 2002
- changed fc_stepsize from incorrect int to real · fcf97d00
  hess authored May 13, 2002
  
  fcf97d00
- changed epsilon_surface from incorrect bool to real · d5011fed
  hess authored May 13, 2002
  
  d5011fed
May 08, 2002
- changed a %10.4g format to %10.4f · c750e990
  hess authored May 08, 2002
  
  c750e990
May 02, 2002
- · 928af08e
  lindahl authored May 02, 2002
  928af08e
- · 6eb6d7f7
  lindahl authored May 02, 2002
  6eb6d7f7
Apr 24, 2002
- fixed dependence of resarea om atomarea option and some more messy code · 99c14842
  hess authored Apr 24, 2002
  
  99c14842
- pdb frames are now always surrounded by MODEL with a number>=0 and ENDMDL,... · 5e8d7caf
  hess authored Apr 24, 2002
  5e8d7caf
Apr 23, 2002
- · c0e1d754
  lindahl authored Apr 23, 2002
  c0e1d754
- · 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