[gmx-users] settle for other solvents

Christoph Freudenberger christoph.freudenberger at chemie.uni-ulm.de
Tue Feb 18 12:06:13 CET 2003


Thanks everybody for the information,
I think it would be best to use the lincs approach then for all
types of solvents to have consitency in all systems.

Is it possible to restrict the constraints to the solvent and
leave the solutes unaffected? Didn't find anything in the
manual about that.

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




More information about the gromacs.org_gmx-users mailing list