[gmx-users] difference between table and tablep?

Alexander Benedix benedix at bioinformatik.uni-saarland.de
Thu Jan 12 13:21:13 CET 2006

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?


Dipl.-Phys. Alexander Benedix
Zentrum für Bioinformatik Saar
Theoretical & Computational Membrane Biology
Universität des Saarlandes
Building C7.1,    Room 0.07,    Phone x-64179
eMail:  benedix at bioinf.uni-sb.de
aim:    wizkah
icq:    268065902
Url:    http://www.bioinf.uni-sb.de/RB/

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