On 31 Mar 2017, at 10:51, Ramon Crehuet Simon <ramon.creh...@iqac.csic.es<mailto:ramon.creh...@iqac.csic.es>> wrote:
In that case, does it make sense to use virtual sites to allow 4fs time step? In other words, if vsites remove the fastest degrees of freedom, but we do not constrain bond distances, will a 4 fs time-step be stable? No. Kind regards, Erik Marklund -- 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.
