Re: [gmx-users] Calculating the displacement of an atom QUERY
On 12/24/13, 2:38 AM, rbbioinfo wrote: Hi, I want to plot the total displacement of an atom/ion along Z axis with respect to time. Anybody kindly help me regarding how to calculate the movement of any atom using gromacs. An early response will be highly appreciated. Sounds like a job for g_traj. -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.
[gmx-users] Calculating the displacement of an atom QUERY
Hi, I want to plot the total displacement of an atom/ion along Z axis with respect to time. Anybody kindly help me regarding how to calculate the movement of any atom using gromacs. An early response will be highly appreciated. Thanking you, Rajabrata -- View this message in context: http://gromacs.5086.x6.nabble.com/Calculating-the-displacement-of-an-atom-QUERY-tp5013503.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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.
