[gmx-users] Re: job failed
Peter C. Lai
pcl at uab.edu
Thu Apr 5 20:53:58 CEST 2012
On 2012-04-05 08:51:05PM +0200, Albert wrote:
> thank you very much for kind reply.
> I tried NVT before I produced NPT MD production.....
> thank you very much
What pressure coupling barostat are you using? (pcoupl)
Peter C. Lai | University of Alabama-Birmingham
Programmer/Analyst | KAUL 752A
Genetics, Div. of Research | 705 South 20th Street
pcl at uab.edu | Birmingham AL 35294-4461
(205) 690-0808 |
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