Ramon Garcia
Activity
03/13/2006
- 12:11 PM GROMACS Bug #49: Wrong image convention for evaluating dummy atoms.
- I am not sure if I understand. So you are saying that it was a chance that my
system worked after my patch and that t... - 11:19 AM GROMACS Bug #49: Wrong image convention for evaluating dummy atoms.
- ping again...
Please can you answer?
03/06/2006
- 11:53 AM GROMACS Bug #49: Wrong image convention for evaluating dummy atoms.
- Ping.
van der Spoel? are you there?
02/25/2006
- 05:58 PM GROMACS Bug #49: Wrong image convention for evaluating dummy atoms.
- Created an attachment (id=19)
Log file generated by a simulation with LINCS, otherwise with the original
files posted. - 05:55 PM GROMACS Bug #49: Wrong image convention for evaluating dummy atoms.
- I can't reproduce your LINCS warnings.
I am running exactly the same files as I uploaded, but with the constraint
al... - 05:04 PM GROMACS Bug #49: Wrong image convention for evaluating dummy atoms.
- Sure the problem happens with "broken molecules", that is, different atoms of
the same molecule having different imag...
02/18/2006
- 05:54 PM GROMACS Bug #49: Wrong image convention for evaluating dummy atoms.
- Created an attachment (id=16)
Proposed fix
Go to the directory where md.c is, and do patch < md.c.diff - 05:52 PM GROMACS Bug #49: Wrong image convention for evaluating dummy atoms.
- Created an attachment (id=15)
Files used for reproducing the problem. - 05:48 PM GROMACS Bug #49 (Closed): Wrong image convention for evaluating dummy atoms.
- After running mdrun_d with a water system with van der Eerden model, mdrun_d
crashed. (Use attached files to reproduc...
12/30/2005
- 06:51 PM GROMACS Bug #39: Generation of initial velocities counts dummy atoms as normal atoms.
- Created an attachment (id=9)
Modification of grompp.c
Go to the directory where grompp.c resides and run
patch < th...
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