[gmx-users] g_disre and multiple tpb-file

Paul Czodrowski pc at rufus.biomed.brown.edu
Mon Jul 8 19:50:00 CEST 2002

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.

Does anyone have an idea?

Thanks so long,


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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