[gmx-users] settle for other solvents

Christoph Freudenberger christoph.freudenberger at chemie.uni-ulm.de
Tue Feb 18 08:41:35 CET 2003

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?

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

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