Finally i came back to sander. Whereas there were some erros in the namelist
for ewald, it didn't functionned at all. This is not as described yesterday a
mismatch between sander and sander_classic for the ewald input, it is that
sander_classic has not PME parallelized for node>2 (maybe) as iewald=1 leads
to a crash. This doesn't happen with sander, so i switched to sander.
I think this is a sander_classic bug, maybe it is no more interesting now.
Thanks for your help,
Stef
--
*~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~*
Teletchéa Stéphane - CNRS UMR 8601
Lab. de chimie et biochimie pharmacologiques et toxicologiques
45 rue des Saints-Peres 75270 Paris cedex 06
tel : (33) - 1 42 86 20 86 - fax : (33) - 1 42 86 83 87
mel : steletch_at_biomedicale.univ-paris5.fr
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Received on Tue Jan 08 2002 - 08:21:07 PST
