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- 12:00 PM GROMACS Bug #1387: Wrong return value in topsort.c
should be the correct return statement
- 11:57 AM GROMACS Bug #1387 (Closed): Wrong return value in topsort.c
- Function @gmx_bool gmx_mtop_bondeds_free_energy(const gmx_mtop_t *mtop)@
in @src/gmxlib/topsort.c@ returns always t...
- 04:16 PM GROMACS Bug #894: Wrong rms deviation calculation in g_rmsf
- The short version:
- there is no option -pbc in g_rmsf probably you mistake it for g_rms
- as Berk says, the fitt...
- 05:47 PM GROMACS Feature #895 (In Progress): g_rmsf previous frame as reference
- The previous frame of a trajectory can be used as reference structure instead of the fixed frame given with the -s fl...
- 05:36 PM GROMACS Bug #894 (Closed): Wrong rms deviation calculation in g_rmsf
- The implementation of rms deviation in g_rmsf which can be switched on with the -od flag does not treat the periodic ...
- 05:18 PM GROMACS Bug #893 (Closed): g_rmsf group index instead of atom number in output
- The behaviour of g_rmsf output is weird. When selecting an arbitrary group of atoms for rmsf calculation, the resulti...
- 04:13 PM GROMACS Bug #789 (Closed): Typo - case sensitivity of grompp
- Attached a patch.
- 10:50 AM GROMACS Bug #782 (Closed): A couple of typo fixes
- I read over the gromacs manual during the last month and fixed all typo and latex issues on which I stumbled. Here is...
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