Dear gromacs usres, I want to run nvt simulation of water-ion cluster (Na+(H2O)250) in gas phase (vacuum) at higher temperature ( bigger than 200 K). But the cluster will collapse at high temperature. So the distance restraints is used to restraint the water molecules and the ion Na+ not to keep together as a cluster. But there are so many atoms to set the distance constraint in the topology. So how can I set set the distance constraint in the topology easilier? How to set the distance restraint between the atoms and center of mass of the water-ion cluster?
Thank you very much! Yong Liu liuyong_1...@dicp.ac.cn -- 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.
