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vivek-bala/min.in

Created February 19, 2015 07:31
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min.in
Basic minimisation, weakly restraining backbone
&cntrl
imin=1, maxcyc=500,
ntpr=50,
ntr=1,
ntb=0, cut=25.0, igb=2,
&end
Atoms to be restrained
0.1
FIND
CA * * *
N * * *
C * * *
O * * *
SEARCH
RES 1 999
END
END
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