Hi, It's possible, but there is no code written for it.
Mark On Mon, Aug 13, 2018, 12:47 Rakesh Mishra <rockin...@gmail.com> wrote: > Dear Justin. > > Thanks for your kind advise. > But why don't it is not possible to apply the constant force which should > increases linearly (at each instant of time delta) > like at > t1 -f1 > t2-f2 > . > . > tn-fn > > and corresponding to that force we get extension for each increment of > time in Gromacs. This is more relevant in order to map > experimental work of unzipping or axial pulling of nucleic acid like > DNA/RNA/protein. Is it possible to build this protocol in Gromacs. > > On Thu, Aug 9, 2018 at 5:30 PM Justin Lemkul <jalem...@vt.edu> wrote: > > > > > > > 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. > > > > > -- > > *With Best-Rakesh Kumar Mishra* > * (RA)CSD SINP Kolkata, India* > > *E-mail - rakesh.mis...@saha.ac.in <rakesh.mis...@saha.ac.in> * > > *Phone n. +91 9473662491, +918777496532* > -- > 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. > -- 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.
