hi Gmx experts i want to calculate Volume corresponding to the one molar standard state. is there any tool in gromacs to do that. i read about gmx density. Background: i have Protein-ligand complex simulation and i need to find energy of restraints which requires Volume.
Thanks in advance Sana Saeed Khan, Research Assistant Chemoinformatics Lab Graduate Student, MS bioinfo Department of Bioinformatics Soongsil University, Seoul, South Korea. -- 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.
