[EMAIL PROTECTED] wrote:
Selon naga raju <[EMAIL PROTECTED]>:
Dear gmx users,
I am using mdrun command in pentium-4
redhat linux, job was completed without any errors.
When I use the same files in cluster(redhat
enterprizes OS), I got the following error,
...
gen_seed = 17532
constraints = all-bonds
Try using h-bonds, i suspect this will not be a problem anymore :-)
If that solves, the problem, that may provide another view from the report i
made last week ...
quite on the contrary... (see bugzilla 109). Anyway, it is not a good
idea to adapt the simulation if there is positive evidence that it
should run.
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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