On Fri, Feb 04, 2005, Stern, Julie wrote:
> The minimization only outputs the end state structure. Is there a
> way to save the data as its minimizing? Thanks.
Not with the current code, as far as I can tell. You could run a series of
shorter minimizations.
....dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sat Feb 05 2005 - 19:53:00 PST
