- 09:37 AM GROMACS Bug #2862: Division by zero in restrained dihedrals
I was discussing with Monica Bulacu, the main author of the theory. The if part with
if (sine_phi_sq < ...
- 10:11 AM GROMACS Bug #2862: Division by zero in restrained dihedrals
Sorry again for the late reply. Code was done according to the physics described in the cited article. So...
- 10:17 AM GROMACS Feature #1885: DPD Thermostat
- Dear Berk,
Thanks. Sorry for a late reply. It is not about the total momentum of the system. But about the total m...
- 10:22 AM GROMACS Feature #1885: DPD Thermostat
- Dear Berk,
Thanks. This is a variant of DPD, ISO type (from the article) that has whatever is needed:
- 01:13 PM GROMACS Feature #1885: DPD Thermostat
Happy New Year to everyone!
I see no reply yet to this open issue. I modified the patch to have no con...
- 07:51 PM GROMACS Feature #1885 (New): DPD Thermostat
- Dear Gromacs Developers,
I propose to develop a new patch that will include the DPD thermostat. Our MD Group from ...
- 05:11 PM GROMACS Feature #1627: DPD integrator
- Thanks Berk,
Here is the link to the article:
- 04:54 PM GROMACS Revision b8a3738b: Default SD integrator is now sd1 by Nicu Goga
- The default SD integrator is now sd1, sd2 is deprecated. grompp
and mdrun both warn about sd2, and recommend sd.
- 07:48 AM GROMACS Revision e03f08a9: Martini CG - Combined angle-torsion potentials
- - Potential important for Martini
- Most Important diffence: bondfree.c
- Rest of files: definition of types
- 02:33 PM GROMACS Bug #1220 (Closed): Gromacs manual on the web
- Dear Gromacs developers,
Gromacs manual 4.6.1 should be the first, but on the web-page "http://www.gromacs.org/Doc...
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