AMBER: setting up restraint with ntr option

From: Lwin, ThuZar <ThuZar.Lwin.stjude.org>
Date: Thu, 9 Jun 2005 16:49:04 -0500

Dear Amber users,
 
     I am wondering what the difference is in the dynamics when using
 &cntrl
 .....
 ntr=1, restraint_wt=1.0, restraintmask='1-128'
 ....
 &end
 
 vs.
 
 &cntrl
 .....
 ntr=1,
 ....
 &end
 Group input
 1.0
 RES 1 128
 END
 END
 
 Thanks,
 ThuZar

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Received on Thu Jun 09 2005 - 22:53:01 PDT