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Pär Bjelkmar

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10/25/2011

03:58 PM GROMACS Bug #824: pdb2gmx does not generate cmap entries for alanine dipeptide
Nice, you seem to be on top of this. Cesar, could you please send me/post your input file and specify which gromacs v...

09/21/2011

11:08 AM GROMACS Bug #807: Use of [cmap]
A description of this has now been added.
11:03 AM GROMACS Revision 291f8994: Added the description of the [ cmap ] entry in accordance with bug #807

12/10/2010

02:40 PM GROMACS Bug #621: Missing LSN breaks CMAP
Added LSN in residuetypes.dat in 4.5 branch.
01:22 PM GROMACS Revision 4835f409: Added CHARMM neutral lysine, LYN, to residuetypes.dat.

11/08/2010

05:17 PM GROMACS Revision 1af05ff5: Deleted redundant charmm27.ff/dna.r2b.

11/05/2010

01:38 PM GROMACS Revision c72bce9d: More atom-based charge groups in CHARMM (termini and hard-coded residues).

09/16/2010

04:28 PM GROMACS Revision a251a0e7: Merge branch 'release-4-5-patches' of git://git.gromacs.org/gromacs into relea...
04:15 PM GROMACS Revision db330f30: Atom-based charge groups in CHARMM.

08/23/2010

11:37 AM GROMACS Revision 0c388af9: Merge branch 'release-4-5-patches' of git.gromacs.org:gromacs into release-4-5...

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