marcelodepolo wrote > > I'm running Gromacs in double precision to minimize my system until 10^-4 > kcal/mol.nm 'cause it's too much unstable. Unfortunately, my system is > huge and double precision make the simulation slower. > > My question is: can I run minimization process in double precision and > simulation itself in simple??
Yes. This may not help your problem. See http://www.gromacs.org/Documentation/Terminology/Blowing_Up Mark -- View this message in context: http://gromacs.5086.n6.nabble.com/Double-X-Simple-precision-tp4999894p4999895.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
