On 1/29/14, 9:13 AM, Atila Petrosian wrote:
Dear Justin Thanks for your reply. To obtain modified trajectory and then comparing with original trajectory, I do not know exactly which of none, mol, res, atom, nojump, cluster or whole is appropriate for me.
In a simple case like this, many of the options may produce equivalent outcomes. Explore the list archive a bit, because periodicity is discussed frequently. Also consult http://www.gromacs.org/Documentation/Terminology/Periodic_Boundary_Conditions#Suggested_trjconv_workflow and play around with trjconv - nothing supplants a bit of trial and error sometimes, especially with a Swiss army knife program like trjconv.
-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 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.
