Hello Amber-ites,
I am trying to use the setBox vdw buffer command in leap and
it doesn't seem to reset anything for me. I have to go into the .inpcrd
file
and change the last line and that appears to work. But, am I doing
something
wrong with setBox? Thanks.
--Julie
> setBox SSH vdw
removing previous box..
Box dimensions: 7.460000 7.100000 9.319000
> setBox SSH vdw {20.0 20.0 20.0}
removing previous box..
Box dimensions: 7.460000 7.100000 9.319000
> setBox SSH vdw 20.0 20.0 20.0
removing previous box..
Box dimensions: 7.460000 7.100000 9.319000
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Received on Fri Feb 25 2005 - 18:53:01 PST
