- 05:25 PM GROMACS Revision 8289f698: Interactive Molecular Dynamics (IMD)
- IMD allows to interact with and to monitor a running molecular dynamics
simulation. The protocol goes back to 2001 ("...
- 03:17 PM GROMACS Revision 283a0e5a: gmx_dyecoupl: check selected groups from user
- check if the user accidentally selected the same group twice. Abort
with error, since this will not produce any meani...
- 12:09 PM GROMACS Revision 6afee3a6: fixed [dd] and [TT] typos in documentation of mdrun and gmx_sans
- Change-Id: Ia51f67b2b056f66072875d2c7a366ae4685bf9d4
- 10:39 PM GROMACS Revision 89035bc4: implemented -intra switch for g_dist (now based on release-4-6)
- Change-Id: I7fc226a71bd5bd5e1be866177fbecf5dd443dbd1
- 02:20 PM GROMACS Bug #327: g_mindist in 4.0.4 produces weird results
- I double checked the distance lists and couldn't find residues in chA and chB with the same distance. Maybe I misinte...
- 01:23 PM GROMACS Bug #327: g_mindist in 4.0.4 produces weird results
- Created an attachment (id=374)
Tarball with traj / tpr / input pdb / ndx file and g_mindist -or output
- 01:03 PM GROMACS Bug #327 (Closed): g_mindist in 4.0.4 produces weird results
- Analyzing a transient protein complex (chain A with residue 1-110 and B resid 111-199), I get weird results:
I am us...
- 07:53 PM GROMACS Bug #308: gmxcpp does not support #elif
- also - it would be good if gmxcpp either supports preprocessor directives with spaces:
- 02:58 PM GROMACS Bug #258: libmd.so and libgmx.so are not linked vs. each other
- Yes, the dependency issue should be solved, but shouldn't libmd be linked vs libgmx in case of shared libraries since...
- 02:31 PM GROMACS Bug #258: libmd.so and libgmx.so are not linked vs. each other
- OK, so then only mdlib should be linked vs gmxlib.
nm -u libgmx.so | grep -v GLIBC
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