[gmx-users] position restraints crashing

Xavier Periole x.periole at rug.nl
Thu Aug 10 16:07:42 CEST 2006

Alan Dodd wrote:

>Interestingly, merging the peptide chains to one
>results in PR working fine.  Smells like a bug to
>me... but I guess that's the price of using an old
We have done PR MD applied on peptides (40) separated
from each other by water molecules and everything went
fine and for very long simulation times (nsss) ...

using gmx3.2


 Xavier Periole - Ph.D.

 Dept. of Biophysical Chemistry / MD Group   
 Univ. of Groningen
 Nijenborgh 4
 9747 AG Groningen
 The Netherlands
 Tel: +31-503634329
 Fax: +31-503634398
 email: x.periole at rug.nl
 web-page: http://md.chem.rug.nl/~periole

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