[gmx-users] OPLSAA parameters

friendli friendli2000 at gmail.com
Fri Nov 21 03:30:54 CET 2008

Dear all,

To understand the exact parameters used in oplsaa force field, I read 
the ffoplsaa*.*** files.
But I can not find all the corresponding atom types in the ffoplsaa.rtp 
and ffoplsaabon.itp files.

for example, in rtp file, there is a bond between atom type CG and OG1. 
But in *bon.itp, there is no such atom types CG or OG1 in the 
[bondtypes]. where is the bond constants etc kept? and how Gromacs find 

Can anybody give a hint for this?

thanks in advance


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