AMBER Archive (2005)

Subject: Re: AMBER: essential dynamics

From: John Mongan (jmongan_at_mccammon.ucsd.edu)
Date: Wed Aug 24 2005 - 11:27:46 CDT

On Wed, 24 Aug 2005, Anthony Cruz wrote:

> Hi Users:
>
> I am trying to do an essential dynamics analysis of two simulation and I have
> some question of the output that I get from g_anaeig and g_analyze.

The programs you mention are part of the GROMACS suite, not the AMBER
suite. You may have become confused because the documentation for the
Interactive Essential Dynamics tool that I have written suggests that
these programs may be used to perform ED on trajectories from AMBER 7 and
earlier (the AMBER 8 version of ptraj is able to perform these analyses,
so there's no need to use parts of GROMACS if you have AMBER 8). You are
much more likely to find satisfactory answers to your questions on a
GROMACS mailing list.

Cheers,

John
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