AMBER Archive (2005)

Subject: AMBER: setting up restraint with ntr option

From: Lwin, ThuZar (ThuZar.Lwin_at_stjude.org)
Date: Thu Jun 09 2005 - 16:49:04 CDT

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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