GROMACS development

09/21/2013

02:09 AM GROMACS Bug #1339: Center of mass drift with Nose-Hoover, MTTK and md-vv

Here I am attaching the Velocity of center of mass during time. I tried to zoom in to see the time scale on which the...

09/20/2013

09:38 PM GROMACS Bug #1339: Center of mass drift with Nose-Hoover, MTTK and md-vv

Yes, the center of mass of the whole system (which is a polymer chain with 400 monomer) is drifting. The box shape st...

09/19/2013

10:22 PM GROMACS Bug #1339: Center of mass drift with Nose-Hoover, MTTK and md-vv

I am attaching the topol.top file in case if you need it.

10:20 PM GROMACS Bug #1339 (New): Center of mass drift with Nose-Hoover, MTTK and md-vv

Simulation of single long polymer chain shows huge center of mass drift during microsecond simulation.
The very same...