[gmx-users] Question about mdrun -rerun
ipk6456 at truman.edu
Mon Jul 27 23:49:44 CEST 2015
Ok well thank you anyway. I will just need to run the whole simulation
On Jul 27, 2015 5:45 PM, "Justin Lemkul" <jalemkul at vt.edu> wrote:
> On 7/27/15 5:43 PM, Ian Kotthoff wrote:
>> Thank you Justin,
>> Is there a way that I can change the pullx calculation frequency? The
>> number of frames I have saved does not provide enough resolution for
>> results to be drawn.
> Nope, you can't calculate anything from frames that weren't saved.
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 629
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users