AMBER Archive (2006)

Subject: Re: AMBER: Replica Exchange

From: Carlos Simmerling (carlos_at_csb.sunysb.edu)
Date: Thu Jul 20 2006 - 21:51:19 CDT

Austin B. Yongye wrote:

>Dear amber users,
>I was wondering if any body knows from where the code for T-WHAM (J. Phys.
>Chem. B, 109, 6722-6731 (2005)) can be downloaded?
>
>
have you contacted the corresponding author of that article?

>Also, after running the REMD simulation which of the replicas' trajectory
>needs to be analysed?
>
>
this depends very much on what your goal was for the remd
simulation. Until you know what to analyze it can be best to
follow the methods used by someone that published an article similar
to the kind of research that you are doing. Without more specifics
I really can't suggest anything.

>Thanks,
>austin-
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