[gmx-users] screen Coulomb interactions.

[xieyh at hkusua.hku.hk]

Dear all:

For example, in my system, I have an atom A with charge 1.0e, and another atom B
with charge -0.5e. Normally, if A & B are within the cutoff distance, a
non-bonded electrostatic interactions will be calculated.

For some special reason, can I exclude such Coulomb interactions (let it be
zero)? If yes, how?


Thanks and regards, 

Xie YH 
Hong Kong Univ.


>Dear users:
>
>I have some charged atoms in my system. But, I need to make these
electrostatic
>interactions be zero without deleting the charges. 
>
>Is it possible?

>please be more specific.

>
>
>Thanks.
>
>
>
>Xie Yinghong
>Hong Kong Univ.
>
>