On 3/14/16 6:37 AM, Mehreen Jan wrote:
respected sir! sorry for disturbing thank you for provided guide line i used following perameters... gromacs 5.0.7 force field 43A1p (which is downloaded from given gromacs web) problem: after 1ns i stop the simulation ang generate PDB of my protein. i found that my TPO is removed from PDB and in SEP no change occure i am surprised what happens with TPO??/ kindly provide me guide line what happen with TPO
Atoms and residues cannot be deleted. -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.
