AMBER: multiple "restraint_wt" in sander

From: <>
Date: Mon, 3 Jul 2006 23:12:21 +0900 (JST)

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,


Let's start Yahoo! Auction - Free Campaign Now!

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Wed Jul 05 2006 - 06:07:12 PDT
Custom Search