[gmx-users] Incorrect number of parameters - found 3, expected 1 or 1 for Polarization.
jalemkul at vt.edu
Thu Aug 20 19:05:40 CEST 2015
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 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
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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