On 8/20/15 1:03 PM, 折晓会 wrote:
Dear all, I used Gromacs 5.0.5 to generate a trajectory of polarizable water system with SWM4-NDP model, and then tried to use a custom version Gromacs 4.5.5 to calculate local pressure of the system. When I generate the .tpr file with Gromacs 4.5.5, an error coccurs: Fatal error: Incorrect number of parameters - found 3, expected 1 or 1 for Polarization. What does this mean? How should I solve this problem?
This means that you have too many parameters on some line related to the [polarization] directive. Isotropic polarization takes one value (alpha), so that's all that is allowed.
-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.
