[gmx-users] difference between table and tablep?
David van der Spoel
spoel at xray.bmc.uu.se
Thu Jan 12 13:55:55 CET 2006
Alexander Benedix wrote:
> Hello everybody,
> I want to use a user defined potential for electrostatics and therefore
> supply mdrun with table.xvg. But, in addition to table.xvg, it requests
> a tablep.xvg, too. As I understand it, this tablep.xvg is needed for
> different energy groups, but I don't have any energy group (I tried one
> energy group, but mdrun still wants to see a tablep.xvg). Am I doing
> something wrong in providing the same potential (the same file) for the
> -table and -tablep option?
> And what exactly is the difference between pair interaction and
> /ordinary/ interaction?
pair is 1-4 interactions.
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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