Hello; i'm using umbrella sampling and i have some basic questions about it, i will appreciate you if you help me;
1. for example i've got 2000 conf.gro and i want to choose 38 of them. i dont know how choose them eficiently???(The conformations are scanned every 0.1 ps in order to save them with the CM within each of the interval of width 0.05 nm) 2. where should i implement this " 0.1 ps " >>>what is called in mdp file? 3. how should i know that width is 0.05 between different configurations? best regards Rose -- 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.
