[gmx-users] how to write .top file for a rigid molecule

[Jinyao Wang]

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
　　　　　　　　wangjy at ciac.jl.cn
　　　　　　　　　　2008-11-12