[gmx-users] position restraints

Pedro Alexandre Lapido Loureiro paloureiro at biof.ufrj.br
Fri Apr 23 22:56:01 CEST 2004


Hi!,

I am trying to restrain a molecule (atoms 18208 .. 18220) in my system using 
the file posre.itp.
When I run grompp, it crashes saying:
"Atom index (18208) out of bounds (1 - 3)"
Do you have any suggestions?

Regards.

Pedro.

--
Pedro Alexandre Lapido Loureiro
Laboratório de Física Biológica
Instituto de Biofísica
UFRJ
Brasil 



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