On 6/7/16 3:13 AM, amitbe...@chemeng.iisc.ernet.in wrote:
Hello, I was running the simulation for the umbrella sampling tutorial by Dr. Justin Lemkul in GROMACS 5.1.2 and I followed the steps exactly as they were mentioned. But in my summary_distances.dat there is one column. the COM column is missing. I am new to gromacs . So please help me out.
That means the gmx distance commands failed. Run one interactively to see what error you get.
-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.
