[gmx-users] united atom

Ali Alizadeh ali.alizadehmojarad at gmail.com
Thu Feb 7 15:46:43 CET 2013

Dear All user

There are 350 decane molecules in my simulation box,

I like doing a simulation(npt ensemble) by a united atom force field,
Can I use the opls (nonbonded: L-J 6-12 and coloumb) that is in

Beside, How can I neglect  coloumb interaction(non-bonded) and


Ali Alizadeh

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