AMBER: reproducibility between software

From: Stern, Julie <>
Date: Fri, 2 Mar 2007 11:34:32 -0500

    Have there been any studies or comparisons done regarding reproducibility of
an MD result in amber vs. namd? If all the paramter options are set the same and
the initial conditions are the same, are the algorithms in amber and namd implemented
the same so that an exact trajectory would come out the same?
     Any comments or pointers would be helpful.
The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Sun Mar 04 2007 - 06:07:55 PST
Custom Search