On 2/14/14, 7:29 PM, rankinb wrote:
I cannot locate the VMD script to calculate the tetrahedral order parameter. Does anyone know where I can find it? Alternatively, the manual states that g_order can compute this parameter, but it is not clear to me how to do so. It seems like this command is tailored for carbon tails. I would like to calculate the order parameter for water. Does anyone have any suggestions?
g_hydorder is the program you want. -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.
