[gmx-users] OPLSAA parameters
friendli2000 at gmail.com
Fri Nov 21 03:30:54 CET 2008
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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