[gmx-users] Umbrella sampling

[spss4 at iacs.res.in]

  ----- Message from "Jefferies D.F." <dfj1g14 at soton.ac.uk> ---------
    Date: Tue, 19 Dec 2017 20:56:34 +0000
    From: "Jefferies D.F." <dfj1g14 at soton.ac.uk>
Reply-To: gmx-users at gromacs.org
Subject: Re: [gmx-users] Umbrella sampling
      To: gmx-users at gromacs.org,
gromacs.org_gmx-users at 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-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
>> --
>> Gromacs Users mailing list
>>
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>> posting!
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>> or send a mail to gmx-users-request at gromacs.org.
>
> 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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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." <dfj1g14 at soton.ac.uk> -----