On 1/4/16 6:09 PM, Elsaid Younes wrote:
Hey all, I wish I can find a way to help me writing a script to the gromacs. I mean by scripts "the commands that one writes to gramacs terminals and the choices, which are prompted after command's processing, all collected in one file" I do simulation like lysozyme in water tutorial. Looking forward to hearing from you!
http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts -Justin -- ================================================== Justin A. Lemkul, Ph.D. Ruth L. Kirschstein NRSA Postdoctoral Fellow Department of Pharmaceutical Sciences School of Pharmacy Health Sciences Facility II, Room 629 University of Maryland, Baltimore 20 Penn St. Baltimore, MD 21201 jalem...@outerbanks.umaryland.edu | (410) 706-7441 http://mackerell.umaryland.edu/~jalemkul ================================================== -- 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.
