AMBER Archive (2004)

Subject: AMBER: new leap with old gibbs

From: Carsten Detering (
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
>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>


can't parse gibbs
usage: set <container> <parameter> <object>
    or: set default <parameter> <value>





Carsten Detering University of Washington Seattle, WA 98195 Fon 206.543.5081 Fax 206.685.8665

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