[gmx-users] Umbrella sampling

[Jefferies D.F.]

All sorted now. 

Thanks, 

Damien 
________________________________________
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: Friday, December 22, 2017 11:49 AM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: Re: [gmx-users] Umbrella sampling

  ----- Message from Mark Abraham <mark.j.abraham at gmail.com> ---------
    Date: Fri, 22 Dec 2017 00:42:31 +0000
    From: Mark Abraham <mark.j.abraham at gmail.com>
Reply-To: gmx-users at gromacs.org
Subject: Re: [gmx-users] Umbrella sampling
      To: gmx-users at gromacs.org
      Cc: gromacs.org_gmx-users at maillist.sys.kth.se

> Hi,
>
> Yes, the parsing of that file looks like it doesn't handle blank lines
> gracefully, at least. Use a text editor and clean things up. And make
sure
> the file endings are unix style, e.g. with dos2unix if relevant.
>
> Mark
>
> On Wed, Dec 20, 2017 at 7:57 AM Jefferies D.F. <dfj1g14 at soton.ac.uk>
> wrote:
>
>> 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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Thank you Mark for your suggestion.

----- End message from Mark Abraham <mark.j.abraham at gmail.com> -----
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