[AMBER] All Energy Calculations in AMBER18.

From: DHEERAJ CHITARA <rs138.iiita.ac.in>
Date: Tue, 25 Dec 2018 19:28:19 +0530

Dear AMBER Users,

How to perform energy calculation using cpptraj in AMBER 18.
I used the following command
*"energy LOX_Aq out LOX_Aq.dat" *without striping water and it will take
too much time to execute.

Should I strip out ions, water and crowder in this calculation. 


-- 
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Dheeraj Chitara
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Received on Tue Dec 25 2018 - 06:00:02 PST
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