Hi,
I'm a PhD student & I have a problem.
I'm tryin' to minimize my protein with this
protocol:
Minimizzazione Energetica
&cnrtl
imin=1, maxcyc=1000, ntmin=2, drms=1,ntpr=100,
scee=1.2, idiel=0,
dielc=4.0,cut=10.0,ntb=0,nsnb=10.0
ibelly=1, ntr=1, ntrx=1,
irest=0, ntx=1,
&end
Group input for constrained atoms
10.0
FIND
CA CT * *
N N * *
C C * *
SEARCH
RES 156 160
END
residui che si muovono nella EM
RES 66 72
END
residui che si muovono nella EM
RES 142 167
END
residui che si muovono nella EM
RES 242 258
END
END
So, my hope is to minimize the protein both
with ibelly option on the TM and make a constrain on
residues from 156 to 160. Is it possible? After
starting the minimization,
it stops at once, and on file .out I view this error:
------READING GROUP 2;TITLE:
residui che si muovono nella EM
rfree:Error decoding variable 1 3 from:
RES
Can you explain what is the error?
Thanks for your help.
Best regards,
Paolo Daniele
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Received on Wed Dec 05 2001 - 07:54:24 PST
