[AMBER] How to choose a particular region to minimization?

From: Thanh Binh NGUYEN <nguyentb.bii.a-star.edu.sg>
Date: Fri, 31 Aug 2012 14:55:02 +0800

Dear AMBER user,
I want to run a minimization for protein-ligand complex, but I want
the region within 5A from ligand are moving, all the remaining part
are fixed. What should I add in the *.in file to do that? (PS: I found
"cap" command but it's only for water)
Thanks in advance.
Nguyen T.B.
PhD student, Bioinformatics institute, Singapore

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Received on Fri Aug 31 2012 - 00:00:05 PDT
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