AMBER Archive (2009)

Subject: [AMBER] Suggestion for restraining chain of a protein

From: nicholus bhattacharjee (nicholusbhattacharjee_at_gmail.com)
Date: Tue May 05 2009 - 01:29:54 CDT

Dear community,
                        I simulating a protein which have two chains (lets
say A & B). Since I want to study the behaviour of only one chain (lets say
B) I am restraining the other chain with the help of NTR, RESTRAINT_WT,
RESTRAINTMASK in the equilibration as well as production run. I am not
sure if it is the correct way to do it. Can anybody tell if I am wrong or
right. 

-- 
Nicholus Bhattacharjee
PhD Scholar
Department of Chemistry
University of Delhi
Delhi-110007 (INDIA)
Phone: 9873098743(M)
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