AMBER: recovering total force array

From: Dave S Walker <dswalker.darkwing.uoregon.edu>
Date: Thu, 11 Mar 2004 18:20:57 -0800 (PST)

Hi all,
        I've been trying (with no success) to figure out how to output the
total force array from runmd.f when running sander parallel. It looks
like fdist() in parallel.f would do the trick, but I haven't been able to
access it without sander freezing on me when I run it (compiles fine). Is
there a simple way to resolve this problem? Thanks for your time.

dsw
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Fri Mar 12 2004 - 02:53:00 PST
Custom Search