[gmx-users] position restraints crashing

[Xavier Periole]

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
>version.
>  
>
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

-- 
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 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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