[gmx-users] segmentation fault

[Justin Lemkul]

On 3/7/18 6:11 AM, spss4 at iacs.res.in wrote:
> Hii all
> I am trying to simulate biomolecule in Guanidinium chloride in
> AMBER99sb-ildn force field. I have prepared the topology of GdmCl taking
> the parameters from ffbonded.itp and ffnonbonded.itp. It goes well in
> energy minimization step but in NVT step files are generated and shows
> segmentation fault(core dumped). How to solve this problem?
> I have verified the topology of GdmCl by matching the density with the
> experimental density. My another question is that should I proceed 
> with the
> topology by matching density only? Looking for some suggestions.
>

http://www.gromacs.org/Documentation/Terminology/Blowing_Up#Diagnosing_an_Unstable_System

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

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jalemkul at vt.edu | (540) 231-3129
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