AMBER Archive (2004)Subject: AMBER: new leap with old gibbs
From: Carsten Detering (detering_at_u.washington.edu)
Date: Tue Apr 06 2004 - 14:16:01 CDT
Dear ambers,
what is the proper usage in xleap/amber8 for the 'set default gibbs on'
before the saveamberparmpert command, to use the old gibbs for TI?
I have tried
>set default gibbs on saveamberparmpert my_variable prmtop inpcrd
and
>set default gibbs on
>saveamberparmpert my_variable prmtop inpcrd
both gave me
set: Improper number of arguments!
usage: set <container> <parameter> <object>
or: set default <parameter> <value>
and
can't parse gibbs
usage: set <container> <parameter> <object>
or: set default <parameter> <value>
?
Thanks,
Carsten
--
Carsten Detering
University of Washington
Seattle, WA 98195
Fon 206.543.5081
Fax 206.685.8665
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