Re: [AMBER-Developers] PMEMD and valgrind

From: Robert Duke <rduke.email.unc.edu>
Date: Mon, 31 Aug 2009 19:29:49 +0100

Hi Mark,
Okay, thanks on both counts! - Bob
----- Original Message -----
From: "Mark Williamson" <mjw.sdsc.edu>
To: "AMBER Developers Mailing List" <amber-developers.ambermd.org>
Sent: Monday, August 31, 2009 1:54 PM
Subject: Re: [AMBER-Developers] PMEMD and valgrind


> Robert Duke wrote:
>> Looking back at the sander code, looks like the gb problem got fixed
>> there by allocating skipv from 0 to natom - a better way to go than what
>> you specified below.
>
> I agree, this fix is much better than the one I suggested here. I will
> test and commit, thank you.
>
> As for the second bug, I will prepare the files for you so that you can
> examine the changes.
>
> regards,
>
> Mark
>
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Received on Wed Sep 02 2009 - 23:06:52 PDT
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