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Nicolae goga

  • Registered on: 04/08/2013
  • Last connection: 03/13/2019

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03/19/2019

09:37 AM GROMACS Bug #2862: Division by zero in restrained dihedrals
Friends,
I was discussing with Monica Bulacu, the main author of the theory. The if part with
if (sine_phi_sq < ...

03/13/2019

10:11 AM GROMACS Bug #2862: Division by zero in restrained dihedrals
Friends,
Sorry again for the late reply. Code was done according to the physics described in the cited article. So...

01/26/2016

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...

01/19/2016

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:
- mainta...

01/17/2016

01:13 PM GROMACS Feature #1885: DPD Thermostat
Friends,
Happy New Year to everyone!
I see no reply yet to this open issue. I modified the patch to have no con...

01/02/2016

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 ...

10/17/2014

05:11 PM GROMACS Feature #1627: DPD integrator
Thanks Berk,
Here is the link to the article:
http://gbb.eldoc.ub.rug.nl/FILES/root/2012/JChemThCompGoga/2012JC...

06/28/2014

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.
The...

03/06/2014

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
- Differ...

04/11/2013

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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