AMBER Archive (2009)

Subject: [AMBER] PMEMD vs GROMACS?

From: Sasha Buzko (obuzko_at_ucla.edu)
Date: Mon Feb 23 2009 - 13:55:27 CST

Hi all,
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
into play?

Thanks for any insight.

Sasha

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