On 4/13/16 9:08 AM, ali osouli wrote:
Dear all After the md simulation when i try to convert my *.gro file to a *.pdb file, the output lacks the atom type column, is there any way to make the "trjconv" tool to add this column to the output pdb file? Or is there any other tool to the gro2pdb conversion?
editconf is usually a bit easier to use for simple coordinate file conversions, but no format supports atom type information, only names, numbers, and coordinates.
-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.
