Thank you for your reply, Mark! I have now thought of modifying my input potential, that is, making changes to the tabulated form of potential. I don't really understand the difference between the algorithms of force-switch and potential-switch. Does force-switch algorithm directly act on the forces without making changes to the potential? Is the potential-switch function the integrated form of the force-switch function or is it different altogether?
Many Thanks! -Pallavi Banerjee -- 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.
