Dear all, Is there any way of scaling the Coulombic and/or van der Waals interactions between a protein-ligand system and simultaneously doing Normal Mode analysis on the perturbed system while scaling, perhaps using free-energy code in Gromacs?
Thanking in anticipation, Best Regards, Bhagyesh -- 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.
