From: Sumanth Jamadagni (jamads_at_rpi.edu)
Date: Thu May 21 2009 - 11:47:26 CDT
That seems to work.
Thanks !
Sumanth.
JT wrote:
> In the input file, set the constraints before running minimization or
> dynamics. If you need to minimize without constraints and run
> dynamics with them, then just use two input files.
>
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