[gmx-users] Umbrella sampling
Jefferies D.F.
dfj1g14 at soton.ac.uk
Tue Dec 19 21:56:39 CET 2017
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-bounces at maillist.sys.kth.se [gromacs.org_gmx-users-bounces at maillist.sys.kth.se] on behalf of spss4 at iacs.res.in [spss4 at iacs.res.in]
Sent: Tuesday, December 19, 2017 6:21 PM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: Re: [gmx-users] Umbrella sampling
----- Message from Dhaniram Mahato <bioinfojsr at gmail.com> ---------
Date: Tue, 19 Dec 2017 21:30:05 +0800
From: Dhaniram Mahato <bioinfojsr at gmail.com>
Reply-To: gmx-users at gromacs.org
Subject: Re: [gmx-users] Umbrella sampling
To: gmx-users at 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 <bioinfojsr at gmail.com> -----
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