[gmx-developers] t_CM_table in g_rdf

Florian Dommert dommert at icp.uni-stuttgart.de
Fri Apr 23 17:39:35 CEST 2010


  I have a small problem with g_rdf. My aim is to determine the structure factor of an ionic liquid, but the problem is the t_CM_table in the gmx_rdf.c code. Only very few atomtypes are listed there and I do not really understand what the numbers mean. I have searched the mailing list and found a related question, but no answer was given. 

Can anyone explain me what the numbers in the t_CM_table mean, so that I can enhance the table in the src code and make it applicable to further atoms.



Florian Dommert

Institute for Computational Physics

University Stuttgart

Pfaffenwaldring 27
70569 Stuttgart

Phone: +49(0)711/685-6-3613
Fax:   +49-(0)711/685-6-3658 

EMail: dommert at icp.uni-stuttgart.de
Home: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert

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