gmx-users,
I am goning to carry out a rigid system system simulation for Benzaldehyde.
Atom charges,Bonds and Angles come from Gaussion03 computation. LJ interaction
parameters come from oplsaa forcefield. I don't know how to deal with rigid
molecules in gromacs. So I couldnot know how to write the .top file for the
rigid Benzaldehyde. If you could give me some suggest, It is appreciated.
Jinyao Wang
[EMAIL PROTECTED]
2008-11-12
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