[gmx-users] g_disre and multiple tpb-file

[David]

On Mon, 2002-07-08 at 19:50, Paul Czodrowski wrote:
> Dear Gromacs-Community,
> 
> I ran a MD on 3 processors with distance restraints and now I want to take
> a look at the violations of my restraints. For this purpose, g_disre seems
> to be the best choice.
> When I run g_disre, I get the following error message:
> "run input file full_index.tpb was made for 3 nodes, while g_disre
> expected it to be for 1 nodes."
> 
> Then I try to convert my tpb-file via tpbconv, but again I get an error
> message or more exactly the computer dumps a core file. I also tried the
> switch -unconstrained (although it is the default...) but nothing changed.
try making a tpr file for 1 cpu using grompp


> Does anyone have an idea?
> 
> Thanks so long,
> Paul
> 
> _____________________________________
> 
> Paul Czodrowski
> 
> Department of Molecular Pharmacology
> Biomedical Center
> Box G-B4, Brown University
> Providence, Rhode Island 02912 USA
> voice: +1 401 863 9841
> _____________________________________
> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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