[gmx-users] difference between table and tablep?

[Alexander Benedix]

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?

Alexander
--
***********************************************************************
Dipl.-Phys. Alexander Benedix
Zentrum f?r Bioinformatik Saar
Theoretical & Computational Membrane Biology
Universit?t 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/

[David van der Spoel]

Post by Alexander Benedix
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.

Post by Alexander Benedix
Alexander