[gmx-users] difference between table and tablep?

[David van der Spoel]

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?
Chapter 4
pair is 1-4 interactions.

> 
> Alexander
> 


-- 
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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