Re: [AMBER] lmod & xmin in sander

From: Jérémie KNOOPS [531802] <Jeremie.KNOOPS.umons.ac.be>
Date: Tue, 23 Feb 2016 14:11:36 +0000

Thanks you for your answers. It's a good news that lmod will be improved (and by the way xmin seems to work well)

Jérémie Knoops

-----Original Message-----
From: David A Case [mailto:david.case.rutgers.edu]
Sent: lundi 22 février 2016 13:48
To: AMBER Mailing List
Subject: Re: [AMBER] lmod & xmin in sander

On Sun, Feb 21, 2016, Jérémie KNOOPS [531802] wrote:
>
> I tried to use lmod (ntmin=4) in sander and I just find out that it's
> broken. I'm just wondering if xmin (ntmin=3, which works) is still
> reliable.

lmod should be working (and be much improved) with AmberTools16.

....dac

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Received on Tue Feb 23 2016 - 06:30:03 PST
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