[gmx-users] rerun problem
David
spoel at xray.bmc.uu.se
Fri Nov 7 00:25:01 CET 2003
On Thu, 2003-11-06 at 20:07, Maira d'Alessandro wrote:
> yes, the parameters in the mdp are exactly the same except for the changes I
> reported in my first mail.
>other suggestions?
I'm sorry but I said compare tpr files not mdp files. Maybe the
libraries have changed (force field files)
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. 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
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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