From: Marc Q. Ma (qma_at_oak.njit.edu)
Date: Fri Jun 10 2005 - 08:28:21 CDT
Hi,
I think when you turn on Langevin to do const temperature simulation of
protein without explicit water, you were using the implicit solvent
Langevin dynamics provides, which mimics solute/solvent collision.
Marc
On Jun 9, 2005, at 10:26 PM, Leonardo Sepulveda Durán wrote:
>
>
> As Far as I know, namd do not have an implicit solvent model
> implemented yet. The closest choice, which have a variety of solvent
> models (with a variety of performances) is CHARMM, with GBORN, GBMV,
> GBSW, GBIM, EEF1, SASA and others...but I know, is not for free...
>
> Leonardo
>
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