[AMBER] mm-gbsa with more than one receptor

From: Neha Gandhi <n.gandhiau.gmail.com>
Date: Fri, 13 Dec 2019 09:50:11 +1000

Hello AMBER List,

I have simulated a system (single trajectory) with 3 proteins wherein the
peptide is bound to 2 proteins. I am interested in calculating the free
energy of binding using GBSA method. Is there a way to specify two proteins
as receptors in the gbsa script or I have to perform the gbsa analysis
twice considering each protein as a receptor?

Many thanks,
Neha 

-- 
Regards,
Dr. Neha S. Gandhi,
Vice Chancellor's Research Fellow,
Queensland University of Technology,
2 George Street, Brisbane, QLD 4000
Australia
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Received on Thu Dec 12 2019 - 16:00:02 PST
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