On 12/5/13 5:38 AM, sunyeping wrote:
Dear gromcas users, I have a receptor-ligand complex pdb file, and I want to use editconf to generate the receptor pdb file and the ligand pdb file. I use the following commands:editconf -f _comp0.pdb -o _receptor0.pdb -n index.ndxeditconf -f _comp0.pdb -o _ligand0.pdb -n index.ndxThe first command seems to work and I get the receptor pdb file. However, the second command doesn't work. It gives a "segment fault" information and generate a empty pdb file. Could anyone tell me what cause this error?
The most likely cause is a malformatted .pdb or .ndx file. -Justin -- ================================================== Justin A. Lemkul, Ph.D. Postdoctoral Fellow Department of Pharmaceutical Sciences School of Pharmacy Health Sciences Facility II, Room 601 University of Maryland, Baltimore 20 Penn St. Baltimore, MD 21201 jalem...@outerbanks.umaryland.edu | (410) 706-7441 ================================================== -- 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.