Thank you professor Justin! I solved this error with your suggestion. When I use mdrun -rerun to calculate the local pressure, another error occurs:
Fatal error: Rerun trajectory frame step 600000 time 600.000000 has too small box dimensions What does this mean? Best wishes, Xiaohui > Date: Thu, 20 Aug 2015 13:05:27 -0400 > From: jalem...@vt.edu > To: gmx-us...@gromacs.org > Subject: Re: [gmx-users] Incorrect number of parameters - found 3, expected 1 > or 1 for Polarization. > > > > 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. -- 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.
