[gmx-users] implicit solvent

[Nazish Hoda]

Hi all,

 

I am doing some coarse-grained simulations, where I have removed the solvent
molecules from the system. In order to incorporate the effect of solvent in
my simulations, I need to tune the dielectric constant of the medium. 


Will just changing "epsilon_r" in the mdp file work ? 

Later on, I want to use two different dielectric constants, i.e. a near
field value and a far field value.

Is there an easy way of doing this or do I need to modify the source code ? 

I don't understand the reaction field concept well, still will something on
that line work ?

 

Thanks,  Nazish

 

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