[gmx-users] PRODRG topology server problem!

Christoph Freudenberger christoph.freudenberger at chemie.uni-ulm.de
Tue Sep 24 08:32:35 CEST 2002

Hi Alexandre,

> the PDB file of it in PRODRG. The result was good, but the charges assigned
> was not. Then I searched for pappers with the parameters for acetonitrile
> and I found it(sigma, epsilon and charges). I think this way is the best
> one.
I also just searched for a forcefield for acetonitrile and found a 
couple of those.
So which one do you use/recommend?

best regards
Christoph Freudenberger
Abt. Organische Chemie I AK Siehl - Uni Ulm -Tel: ++49-731-502-2785

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