Re: [AMBER] How to "un-strip" the MG* atom from mmpbsa

From: Daniel Roe <>
Date: Wed, 20 Jun 2018 08:35:42 -0400


On Wed, Jun 20, 2018 at 5:41 AM, Urszula Uciechowska
<> wrote:
> [:WAT,Cl*,CIO,Cs+,IB,K*,Li+,MG*,Na+,Rb+,CS,RB,NA,F,CL]
> My question is how to "un-strip" the MG? Is there any script file in
> mmpbsa tool that I could edit?

I believe there is a strip_mask &general namelist variable that you
can modify. See the manual for full details.


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Received on Wed Jun 20 2018 - 06:00:04 PDT
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