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.