AMBER Archive (2000)

Subject: Re: trouble with NTR=1 and NMROPT=1

From: Vickie Tsui (vtsui_at_scripps.edu)
Date: Sat Mar 25 2000 - 11:58:04 CST

The part specifying the constraints should come after all the weight
changes and file redirections. The following would work:

 &cntrl
    nmropt=1, ntr=1, ....
 &end
 &wt .....
 &end
LISTOUT=POUT
DISANG=RST
Restrain the following
 10.0
RES 1 30
END
END