[AMBER] Calculation of mask for TI input

From: Airy Sanjeev <airy.sanjeev01.gmail.com>
Date: Tue, 28 Jan 2020 09:52:34 +0530

 Hello Amber Users,

I am trying to calculate TI for side-chain mutation (from WT amyloid beta
peptide to the other mutants) but unfortunately I am facing problem in the
inputs. Can you please let me know how to calculate the mask in the input
file (starting from minimization). It would be great help if you give me
some valuable suggestion and idea with my research work.

Thank you in advance
with best regards,
Airy Sanjeev, PhD
Post Doctoral Fellow
Indian Institute of Technology Guwahati, Guwahati
Assam-781039, India
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Received on Mon Jan 27 2020 - 20:30:02 PST
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