Hi Tarak, I have had the same problem. As far as I know, it is not possible to use Nose-Hoover + Parrinello-Rahman in combination with the md-vv integrator.
I am using md (leap-frog) in combination with Nose-Hoover + Parrinello-Rahman, this is working fine. I guess it would be great to get a confirmation by the developers. Daniel -- View this message in context: http://gromacs.5086.n6.nabble.com/NPT-with-md-vv-Nose-Hoover-Parinello-Rehman-tp5002701p5002702.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
