I solved the problem. The command that works is: trjcat -f md00.xtc md01.xtc ... md0N.xtc -o out00.xtc out01.xtc ... out0N.xtc -s replica_index.xvg
Jianhui Date: Tue, 03 Nov 2009 10:24:12 -0500 From: "Justin A. Lemkul" <jalem...@vt.edu> Subject: [gmx-users] Re: trjcat -demux problem To: Jianhui Tian <ti...@rpi.edu>, "Gromacs Users' List" <gmx-users@gromacs.org> Message-ID: <4af04b1c.3000...@vt.edu> Content-Type: text/plain; charset=ISO-8859-1; format=flowed Please keep all correspondence on the gmx-users list. I do not advertise myself as a private help service, and furthermore, you always stand a better chance at getting a response by posting to the list. Is this the post you're referring to? http://lists.gromacs.org/pipermail/gmx-users/2008-December/038719.html It's always best to refer directly to the thread you read. What version of Gromacs are you using? I seem to recall that the quoted error came up in 3.3.3, but not in the 4.0.x series. I never actually solved the above problem; my issue was with version 4.0.2, and it ended up being my own fault for using an improper command :) -Justin Jianhui Tian wrote: > Hi Justin, > > I found your post on gromacs mailing list when I searched for the > "trjcat -demux" problem. > > I had the same problem as you had before: > > Fatal error: > Demuxing the same replica 4 twice at time 30.000002 > > Unfortunately, I didn't find any successful hit to solve it on the > mailing list. > Could you please share with me how to solve the problem if you have > solved it? > Thank you very much. > > Jianhui > > > >
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