AMBER Archive (2006)

Subject: AMBER: multiple "restraint_wt" in sander

From: kanazta1_at_yahoo.co.jp
Date: Mon Jul 03 2006 - 09:12:21 CDT

Dear AMBER community,
   
  Just a quick question.
It it possible to specify different restraint weights for different parts of a protein?
There is no complaint from sander for an input something like
--------------------------------------------
ntr=1, restraint_wt=10.0, restraint_mask=':1-10',
         restraint_wt=1.0 , restraint_mask=':11-20'
--------------------------------------------
but, it appears that only the last restraint was accepted.
  A search in the archive gave a similar question, but there was no reply there.
   
  Many thanks in advance,
Takanori

 

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