AMBER Archive (2009)
Subject: [AMBER] PMEMD vs GROMACS?
From: Sasha Buzko (obuzko_at_ucla.edu)
Date: Mon Feb 23 2009 - 13:55:27 CST
I wonder if anyone has had any comparative experience with pmemd and
gromacs. The latter seems to be faster, but what about the simulation
outcomes? Are the results identical/similar and if there are
differences, how significant?
And if the results are comparable, a more general question: why doesn't
everyone just switch to using gromacs? Are there other issues that come
Thanks for any insight.
AMBER mailing list