[gmx-users] screen Coulomb interactions.

xieyh at hkusua.hku.hk xieyh at hkusua.hku.hk
Mon May 9 08:25:06 CEST 2005

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
>interactions be zero without deleting the charges. 
>Is it possible?

>please be more specific.

>Xie Yinghong
>Hong Kong Univ.

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