[gmx-users] question about implicit solvent MD simulation

Linchen Gong glc02 at mails.tsinghua.edu.cn
Sun Apr 16 16:32:51 CEST 2006

Dear gromacs users,
     Hi, I'm new for gromacs.
     I want to do a implicit solvent MD simulation. I wonder whether gromacs can fullfill the goal, if so, which option should I choose for electrostatics, reaction field or generalized reaction field? And what rcoulomb value is appropriate? if not, could I do a energy minimization for my protein in an enviroment of dielectric constant other than 1?
     Thanks a lot for your attention:)

                                                                Linchen Gong

More information about the gromacs.org_gmx-users mailing list