On Fri, Jan 19, 2007, Chengwen Chen wrote:
>
> When I want to get an optimized structure of the DNA molecule,
> I find that there is no convergence crtieria implemented in the program.
Look at the DRMS variable. You could find this by searching for "convergence
criterion" in the Users' Manual, or by other means.
....dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Jan 21 2007 - 06:07:39 PST
