On 12/30/15 9:21 AM, Nikhil Maroli wrote:
Dear all, im trying to make topology for few ligands,(CHARMM ff)when i try to run it end with error i made unique name for all atoms using VMD-molfacature tool and used Discovery studio,open babel to convert to mol2 file for uploading to charmm-gui im getting following error awk: cmd. line:1: fatal: cannot open file `LIG.mol2' for reading (No such file or directory) Cannot open file LIG.mol2 to read in rmol2(), exit or readmol2 warning: skipped empty mol2 file i hope someone can help me out here
Contact the CHARMM-GUI team; this is not a GROMACS problem. -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.
