[CNS] Generate question
Jeff Taylor
JSTaylor at duke.edu
Mon Jul 31 11:12:17 EST 2000
Hi -
When I run generate.inp to create a mtf/pdb pair CNS prints this:
SHOW: sum over selected elements = 1.000000
( D HIS 151 N ) 16112.
( D HIS 151 N ) D
( D HIS 151 N ) 151
( D HIS 151 N ) HIS
SHOW: sum over selected elements = 1.000000
( D HIS 151 C ) D
( D HIS 151 C ) 151
( D HIS 151 C ) HIS
SHOW: sum over selected elements = 1.000000
( D ARG 152 N ) 16125.
( D ARG 152 N ) D
( D ARG 152 N ) 152
( D ARG 152 N ) ARG
SHOW: sum over selected elements = 1.000000
( D ARG 152 C ) D
( D ARG 152 C ) 152
( D ARG 152 C ) ARG
.... etc.
everything works fine, but all those SHOW: sums take all long time.
What is the routine doing here? Is this section required in all cases?
If not, how can I turn it off?
Thanks,
Jeff Taylor
--
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Dr. Jeffrey S. Taylor Duke University Medical Center
Department of Biochemistry Box 3711, Nanaline Duke Bld
Phone (919) 681-5266 Durham, NC 27710
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