[gmx-users] Ryckaert-Bellemans

A. und B. Nick ANick at t-online.de
Thu Jan 23 22:48:00 CET 2003

Dear all,

I want to use the RB potential for simulation
of a amorphous PE box containing 20 chains.
To this I changed the dihedral type to "3". 
How can I make sure that the 1,4 interactions 
are removed?
If I used pdb2gmx to generate the topology file
I allways get a [pairs] section. Do I have
to delete this manually?

Thanks for your help,

Dr. Birgitta Nick
Deutsches Wollforschungsinstitut
an der RWTH Aachen
Veltmanplatz 8
52062 Aachen
nick at dwi.rwth-aachen.de

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