Greetings,
I would like to restrain one torsion angle in one residue in a molecule. I tried
the following input
...
nmropt=1,
&end
&rst
IRESID=0, IAT=386,387,389,398,
nstep1=0, nstep2=2000000, imult=0,
ialtd=0,r2=-160.0, r3=-120.0, rk2=80, rk3=80.0,
&end
&wt
type='END'
&end
However, no restrains have been recognised. I obviously missing something. I
will appreciate some help...
Thanks,Yara
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Received on Fri Oct 08 2004 - 20:53:00 PDT
