[gmx-users] implicit solvent simulation in gromacs

XAvier Periole x.periole at rug.nl
Wed Apr 28 18:37:47 CEST 2010


Implicit solvent are still not available in gromacs.

Using 43a1 FF is fine, except with implicit solvent! Or you should
have one compatible with it!

On Apr 28, 2010, at 6:27 PM, 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?
> Thanks
> Chanchal
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