[gmx-users] gromacs.org_gmx-users Digest, Vol 130, Issue 12

Xia, Xiaole xiaolexia at fas.harvard.edu
Thu Feb 5 05:19:54 CET 2015

Hi Justin,
Yes, it seems I trashed the .xtc files and I have run my binary files through it. How to recover it? Thanks!


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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