[gmx-users] implicit solvent simulation in gromacs

Justin A. Lemkul jalemkul at vt.edu
Wed Apr 28 18:57:17 CEST 2010

Chanchal wrote:
> Hi All,
>   I want to perform MD simulation of a protein in implicit solvent using 
> gromacs 4.0.7. I looked into the manual but did not get any information 
> regarding the implicit solvent. Is it avilable in gromacs? I searched in 
> the mailing list and found someone in older mail said its not avilable. 
> If it is avilable, could anybody please give me the mdp option. Is it 
> okay to use 43a1 FF?

It is not available.  Implicit solvent has been implemented in the development 
code and is expected in the next release.  I think I posted the same thing just 


> Thanks
> Chanchal


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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