AMBER Archive (2002)

Subject: Can I use belly and ntr at the same time?

From: sxzheng (sxzheng_at_mail.shcnc.ac.cn)
Date: Wed Oct 16 2002 - 10:21:10 CDT


Dear all,
How can I use belly and ntr at the same time? And how to restrain the backbone of the protein.

My input file like:
nmropt=1,
.....
ibelly=1,ntr=1,
 &end
 &wt
      type='TEMP0',istep1=0,istep2=200,
                               value1=100,value2=300.0,
 &end
 &......
 &end
Restrain heavy atoms
5.0
FIND
 * CT * *
 * CA * *
 * CB * *
 * OS * *
SEARCH
RES 1 529
----belly =residues 15a
RES 1 1
RES 61 171
END
END

the out file gives:
RESTRAINTS:
No valid redirection requests found
                ** No restraint defined **
          Done reading weight changes/NMR restraints

Can you give explanation about it.
Many thanks
sxzheng