tsjerkw at gmail.com
Tue Sep 18 15:38:51 CEST 2012
NPT also requires a routine for temperature coupling. What makes you wonder
about the suitability of v-rescale for that? If you check the mdp files
from tutorial stuff, you'll probably encounter the v-rescale method used in
the NpT simulations.
On Sep 18, 2012 7:12 AM, "mohammad agha" <mra_bu at yahoo.com> wrote:
Dear Gromacs Users,
I have doubt about temperature bath coupling (v-rescale). I use this method
(v-rescale) for my system, and my system is NPT ensemble.
Has it problem? is v-rescale just used for NVT ensemble or it doesn't have
Please help me.
Thank you in advance
gmx-users mailing list gmx-users at gromacs.org
* 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-request at gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
More information about the gromacs.org_gmx-users