[gmx-users] pbc = full / gromacs 3.2.1
David
spoel at xray.bmc.uu.se
Fri Dec 10 21:25:52 CET 2004
On Fri, 2004-12-10 at 19:12 +0000, Abil Aliev wrote:
> is there any way of detecting this or similar type of option
> incompatibilities by grompp? pbc=full with constraints on passes with
> no warning.
Most checks are built into gromacs but not all (yet).
>
I will add it to the cvs code.
--
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
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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