Hi David,
I didn't receive any reply from moderator. I upload .nab, .job, .prmtop,
.pdb, and .out file for one of my stuck frame in my dropbox public folder.
You can see in .out file, starting from 3000+ step, it keeps at a single
rmsg and the energy remains unchanged.
https://www.dropbox.com/sh/sa06jqcrciyjppp/AACBNlWwmaFuYWCvNdVunHrya
Thanks!
2014-05-28 19:55 GMT-04:00 David A Case <case.biomaps.rutgers.edu>:
> On Wed, May 28, 2014, Guqin Shi wrote:
> >
> > I was trying to upload some of my files. But once I sent out, I receive
> > message from amber-bounces telling me that message body is too big and
> need
> > to be reviewed by list moderator... Can you see my previous posts? Any
> > other way I can show you my .nab, .job, .prmtop, .pdb, and .out files...?
>
> Keep the files small and compressed: a prmtop file for a 99 amino acid
> protein
> should not be very big. If the moderator doesn't let things through, use
> some
> web service (Dropbox, etc.)
>
> ....dac
>
>
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>
--
Guqin SHI
The Ohio State University
College of Pharmacy
500 W. 12th Ave.
Columbus, OH, 43210
(614)688-3531
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Received on Thu May 29 2014 - 07:30:02 PDT
