----- Message from "Jefferies D.F." <dfj1...@soton.ac.uk> ---------
Date: Tue, 19 Dec 2017 20:56:34 +0000
From: "Jefferies D.F." <dfj1...@soton.ac.uk>
Reply-To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] Umbrella sampling
To: gmx-us...@gromacs.org,
gromacs.org_gmx-users@maillist.sys.kth.se
Out of curiosity, how did you manage to identify and subsequently remove
the extra space? I have been having similar problems and the tools I've
used haven't fixed this problem.
Thanks,
________________________________________
From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
[gromacs.org_gmx-users-boun...@maillist.sys.kth.se] on behalf of
sp...@iacs.res.in [sp...@iacs.res.in]
Sent: Tuesday, December 19, 2017 6:21 PM
To: gromacs.org_gmx-users@maillist.sys.kth.se
Subject: Re: [gmx-users] Umbrella sampling
----- Message from Dhaniram Mahato <bioinfo...@gmail.com> ---------
Date: Tue, 19 Dec 2017 21:30:05 +0800
From: Dhaniram Mahato <bioinfo...@gmail.com>
Reply-To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] Umbrella sampling
To: gmx-us...@gromacs.org
Hi,
There could be format problem. You can create your own .dat files by
typing
it. You have probably copied it from somewhere. I hope it will work
then.
https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2015-April/096839.html
Thanks
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Hii
I have solved the problem. It was just because of one extra space added
in
the tpr-files.dat file. Now its running properly.
----- End message from Dhaniram Mahato <bioinfo...@gmail.com> -----
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Hii
In my tpr-files.dat file as I showed in the first mail, one extra blank
line was added at the bottom of the file. I just deleted that line and the
problem has been solved. You just open your .dat file and do shift+g then
see if there is a extra line or not.
Sunipa
----- End message from "Jefferies D.F." <dfj1...@soton.ac.uk> -----
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