On 1/14/14, 12:37 PM, Albert wrote:
Hello: I found a problem of lipids name when I use editconf each time. My lipids name are: POPC and POPG. When I run command: editconf -f em.gro -o em.pdb the name of my lipids for both POPC and POPG are "POP". I am just wondering how can we solve this problem by exporting the full name of lipids?
editconf only writes 3 characters for PDB residue names, per standard format. The same is true with other Gromacs programs like trjconv. Either stick with .gro format, which permits 4 characters, or write a script to post-process the output.
-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.
