[gmx-users] Langevin dynamics
feenstra at chem.vu.nl
Fri Aug 1 09:43:01 CEST 2003
Jia-Lin Lo wrote:
> I would like to know how do you perform LD with not explicit solvent.
> Did gromacs provide implict solvent model? If not, how did you simulate
> the protein with LD method. How did you make gro and top files.
> Thanks in advance.
I never used LD, but Berk Hess (my roommate then, reads this list too) did.
AFAIR, he only used distance dependent dielectric. There are rumours
about an implicit solvent model bein implemented in Vijay Pande's group
(Stanford U, for the folding at home project), but AFAIK it hasn't been
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| _ _ ___,| K. Anton Feenstra |
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