[gmx-users] Incorrect number of parameters - found 3, expected 1 or 1 for Polarization.

[折晓会]

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: jalemkul at vt.edu
> To: gmx-users at 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
> 
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
> 
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