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
--
----------------------------------
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: [EMAIL PROTECTED]
web-page: http://md.chem.rug.nl/~periole
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