On Mon, Nov 17, 2003, Joo Barroso wrote:
>
> &wt TYPE='NTB', istep1=0, istep2=10000, value1=1,
> value2=1,
> &end
It doesn't work this way. "NTB" is not one of the valid variables for
the a weight change: see section TWO of the sander portion of the manual
for a list of what is allowed as a "TYPE".
If you want to switch from constant volume to constant pressure, you need
to start a new run.
...dac
--
==================================================================
David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Tue Nov 18 2003 - 03:53:01 PST