[gmx-users] questions about implicit solvent simulation
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:)
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