[gmx-users] angle parameters in G96

jxs818 at bham.ac.uk jxs818 at bham.ac.uk
Fri Jan 31 21:37:53 CET 2003

Hi All, 
Just a quicky. I am trying to make a .rtp entry for a 
ligand I am working on. I have a paper which describes the 
angles within the ligand itself. I am working with ffG43a1 
forcefield, My question is are the angle parameters used 
in ffG43a1 in KJ/mol or KJ/mol/rad^2?? as the chapter on 
topologies hurts my head ;-). My second question is a real 
dumma, the parameters in the paper are in KJ/mol/rad^2 can 
I use these numbers as is even though even if the angles 
section of the .rtp file requires parameters in KJ/mol. 
told you it was a dumma

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