[gmx-users] cyclic peptides

Giacomo Bastianelli gbastian at pasteur.fr
Thu Oct 19 16:26:59 CEST 2006

I have to run a md of a cyclic peptide.
Does anybody know how to modify to have
it running...

actually I corrected the file and then run it.
then I arrive at the step "genbox" and it write
the top file but it says:

file input/output error: 1KAL.top

and then I keep having problems for the next steps...



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