[gmx-users] questions about implicit solvent simulation

Linchen Gong glc02 at mails.tsinghua.edu.cn
Mon Apr 17 05:34:02 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