[gmx-users] Umbrella sampling

[Mark Abraham]

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
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests
> > visithttps://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users
> > 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> -----
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>