All sorted now. Thanks,
Damien ________________________________________ 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: Friday, December 22, 2017 11:49 AM To: gromacs.org_gmx-users@maillist.sys.kth.se Subject: Re: [gmx-users] Umbrella sampling ----- Message from Mark Abraham <mark.j.abra...@gmail.com> --------- Date: Fri, 22 Dec 2017 00:42:31 +0000 From: Mark Abraham <mark.j.abra...@gmail.com> Reply-To: gmx-us...@gromacs.org Subject: Re: [gmx-users] Umbrella sampling To: gmx-us...@gromacs.org Cc: gromacs.org_gmx-users@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. <dfj1...@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-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 >> -- >> 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-requ...@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 <bioinfo...@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-requ...@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-requ...@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 > visithttps://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users > or send a mail to gmx-users-requ...@gromacs.org. Thank you Mark for your suggestion. ----- End message from Mark Abraham <mark.j.abra...@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-requ...@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-requ...@gromacs.org.