Dear Users, I use GROMACS to do SMD simulation. I have the pullf.xvg file , but it is very large. I also have the smd.xtc file. I have used it to calculate the COM separation distance between the two pulled groups.
I want to plot force vs COM separation. Can I calculate the pull force from the .xtc file so that the pull force and the COM separation are of same vector lengths? or do I need to add something to my .mdp file to be able to do it ? Like , nstfout ?? I did not download the trr file from the cluster as it is very huge ! Kindly help please. Thanks & Regards Agnivo Gosai Grad Student, Iowa State University. -- 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.
