On 5/15/15 6:29 AM, sanjay choubey wrote:
HI, Thanks for your cooperation. Last time i asked about grompp error in running membrane dynamics simulation. THe error was atom type CA Not found. You suggested me to remove CA from DPPC.itp. But no effect still i am getting
I did not suggest that. You shouldn't modify DPPC.itp in any way.
the same error. Secondly may i request you to know about topol_dppc.top file. In the tutorial under the section defining protein and membrane in membrane simulation its given.
What do you want to know about it? It is a very simple topology that corresponds to the hydrated 128-DPPC membrane.
-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.
