On 8/9/18 6:37 AM, Rakesh Mishra wrote:
Dear all, Can anyone shed some light as ,Is it possible to apply force/time for pulling in gromacs. Means I want to pull my system in step wise . eg. 0 - t1 force applied f1 t1+dt to t2 force f2 t2+dt to t3 force f3 . . . tn-1 +dt to tn force fn Is it possible.
Not in a single run. You would have to run a simulation for interval 0 - dt, generate a new .tpr file for the time period of (t1+dt) - t2, etc.
-Justin -- ================================================== Justin A. Lemkul, Ph.D. Assistant Professor Virginia Tech Department of Biochemistry 303 Engel Hall 340 West Campus Dr. Blacksburg, VA 24061 jalem...@vt.edu | (540) 231-3129 http://www.thelemkullab.com ================================================== -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * 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-requ...@gromacs.org.
