[gmx-users] Implicit solvent model in Gromacs

Mark Abraham Mark.Abraham at anu.edu.au
Mon Jan 23 06:42:12 CET 2012


On 23/01/2012 1:01 PM, Gianluca Interlandi wrote:
> Dear gromacs users list,
>
> I noticed that gromacs can perform simulations with an implicit 
> solvent model using a GBSA method. Is it compatible with the CHARMM22 
> force field?
>
> Thanks,
>
>      Gianluca
>
> -----------------------------------------------------
> Gianluca Interlandi, PhD gianluca at u.washington.edu
>                     +1 (206) 685 4435
>                     http://artemide.bioeng.washington.edu/
>
> Postdoc at the Department of Bioengineering
> at the University of Washington, Seattle WA U.S.A.
> -----------------------------------------------------

Yes, see ref 110 of the manual.

Mark



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