AMBER Archive (2008)

Subject: Re: AMBER: mm-pbsa / sander.MPI ?

From: Miguel Ortiz-Lombardía (ibdeno_at_gmail.com)
Date: Thu Aug 14 2008 - 02:58:54 CDT

Hi,

Perhaps if you modify the script to do so... but in my opinion you shouldn't
get much improvement. The slowest part of the analysis is on nmode hands,
and nmode is not parallelized (as for amber9).

M.

2008/8/14 Arturas Ziemys <arturas.ziemys_at_uth.tmc.edu>

> Hi,
>
> Can MM-PBSA calculations be run with parallel version of sander ?
>
> Arturas
>
> --
>
> Arturas Ziemys, PhD
> School of Health Information Sciences
> University of Texas Health Science Center at Houston
> 7000 Fannin, Suit 880
> Houston, TX 77030
> Phone: (713) 500-3975
> Fax: (713) 500-3929
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
> to majordomo_at_scripps.edu
> 

-- 
http://www.pangea.org/mol/spip.php?rubrique2
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Je suis de la mauvaise herbe,
Braves gens, braves gens,
Je pousse en liberté
Dans les jardins mal fréquentés!
Georges Brassens

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu