Qiao Baofu wrote:
Thanks.
but the g_energy -nmol can only give the Bond,Angle data divided by the
nmol, for the Proper-Dih. LJ, Coulomb, Potential, Total-Energy, g_energy
-nmol 981 gives the same result as without -nmol 981, in which 981 is
the number of molecules.
I am using Gromacs 3.3.1.
If this is reproducible then please submit a bugzilla.
--
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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