As many of you probably know, genbox may be used to add additional solute molecules to a simulation box with a .gro output file containing the coordinates of initial and added solute atoms. Is it possible to do this many times (i.e. >1000) with a single output that contains the coordinates of all trials? If not, does anyone have a suggestion as to how to do this? I can imagine writing a script accomplish this (outside of GROMACS), but I was wondering if there were a simple way to implement this in GROMACS, as it does most of what I want it to do.
Thanks, Blake Purdue University Department of Chemistry Ben-Amotz Lab PhD Candidate -- View this message in context: http://gromacs.5086.x6.nabble.com/Generate-many-random-configurations-tp5014976.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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.
