Monika Sharma wrote:
I am using Gromacs3.3 version, and I was trying grompp for energy
minimization, which is not working. Even the mdrun didnt work. The same
file seems to work properly on simple Fedora linux PC, but not on IBM
Power linux. Dont know then what the problem is??
could it be that your nodes do not have cpp installed? You can make a
tpr file on yourlinux box and cp that to the ibm nodes.
--
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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