[AMBER-Developers] periodic boundary conditions for NAB?

From: <Russ.Brown.Sun.COM>
Date: Thu, 28 Jan 2010 12:29:40 -0800

Hi David,

I note from the comments in the Amber11 prm.c file that NAB now supports
periodic boundary conditions. I'd like to learn more about this exciting
development, including how it was done. Who implemented this change?

Also, did the Galliccio and/or Levy ever supply you with their
description of the truncated gaussian that was necessary for rapid
convergence of the GBSA calculation?


AMBER-Developers mailing list
Received on Thu Jan 28 2010 - 13:00:02 PST
Custom Search