[gmx-users] problem with g_energy in 3.3.1
David van der Spoel
spoel at xray.bmc.uu.se
Sat May 13 22:57:23 CEST 2006
James Rustad wrote:
> I find that when I try to run the new g_energy, I don't get numbers by
> the categories (pressure, temperature, x-box, etc.) and can't select
> them. If I move the ener.edr file over to my other machine with 3.3,
> the thing reads fine. Anyone else have this problem in 3.3.1?
You have to type the name, of the potential term.
We'll probably move to a mixed form in the next release where you can
type either the name or a number.
> Jim Rustad
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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
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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