Thank you. I was just reading that as well, but didn't realize it could also be used to extend. I thought it was just runs that terminated early.
Thanks Xu Dong Huang Chemical & Biochemical Engineering Rutgers School of Engineering [email protected] On Jan 27, 2013, at 9:51 PM, Justin Lemkul <[email protected]> wrote: > > > On 1/27/13 9:49 PM, Xu Dong Huang wrote: >> Dear advanced users, >> >> I'm trying determine the procedure for extending NPT run (i.e I realized the >> NPT run I did wasn't long enough, so I wish to run it for another million >> steps. ) what should I do to set up the run again continuing with the >> previous data? >> > > http://www.gromacs.org/Documentation/How-tos/Extending_Simulations > > -Justin > > -- > ======================================== > > Justin A. Lemkul, Ph.D. > Research Scientist > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > gmx-users mailing list [email protected] > 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 [email protected]. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
