[gmx-users] gromacs.org_gmx-users Digest, Vol 130, Issue 12
mark.j.abraham at gmail.com
Thu Feb 5 10:11:36 CET 2015
On Thu, Feb 5, 2015 at 5:19 AM, Xia, Xiaole <xiaolexia at fas.harvard.edu>
> Hi Justin,
> Yes, it seems I trashed the .xtc files and I have run my binary files
> through it. How to recover it? Thanks!
You can't undo that. Next time, make backups of original data, and find out
what tools do before you use them!
> Message: 5
> Date: Wed, 04 Feb 2015 21:00:54 -0500
> From: Justin Lemkul <jalemkul at vt.edu>
> To: gmx-users at gromacs.org
> Subject: Re: [gmx-users] How to recover the .xtc from wrong operation
> Message-ID: <54D2CED6.4030101 at vt.edu>
> Content-Type: text/plain; charset=windows-1252; format=flowed
> On 2/4/15 8:09 PM, Xia, Xiaole wrote:
> > Hi,
> > I just use dos2unix to change the .xtc, and system will say 'floating
> point exception' when I want to analysis it. Is there any method to recover
> it or how to solve this problem? I use the same version of gromacs and
> analysis on odessay. And the old one still works which was not changed by
> dos2unix. Some my .trr were deleted. Thanks!
> You've probably trashed the files by using dos2unix, which is only
> intended for
> fixing line endings in text files. Don't run your binary files through it.
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 629
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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