[gmx-users] settle for other solvents

[Christoph Freudenberger]

Hi there,

Is it possible to use the settle procedure for other solvents than spc?
CH2Cl2 should be possible (with a united CH2-group) because it has the
symmetry like the water molecule.
But what about linear molecules like Acetonitrile: Me-C=N?
Or 4-atom models like DMSO?
       Me
      /
   O=S
      \
       Me

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