[gmx-users] Langevin dynamics

[Anton Feenstra]

Jia-Lin Lo wrote:
> Hi;
>      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
released (yet).


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
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