Re: [AMBER] lmod & xmin in sander

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Sun, 21 Feb 2016 07:59:58 -0700

Hi,

Could you provide some more details? What version of Amber are you
using and how exactly is lmod broken (are there error messages, does
it segfault, etc)? I personally use xmin in sander quite a bit and it
works fine for me.

-Dan

On Sun, Feb 21, 2016 at 7:09 AM, Jérémie KNOOPS [531802]
<Jeremie.KNOOPS.umons.ac.be> wrote:
> Dear Amber users,
>
> 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.
>
> If xmod is not supported in sander in the next release, it could be useful to remove it from the manual and to mention that users have to try with NAB.
>
> Regards,
>
> Jérémie Knoops
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber



-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Sun Feb 21 2016 - 07:30:04 PST
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