Yes, Sebastien! It ends as you wrote. So, it contains info about the number of atoms, and it worked for the previous step. I could not understand the problem :(
-----Original Message----- From: sebastien santini <[EMAIL PROTECTED]> To: Discussion list for GROMACS users <gmx-users@gromacs.org> Date: Tue, 22 May 2007 14:27:18 +0100 Subject: Re: [gmx-users] problem with position-restrained dynamics of a charged system It seems your topology does not contain any information about number of atoms etc ... Does your file end with lines like this (for example): ... [ molecules ] ; Compound #mol Protein 1 NA+ 12 SOL 1589 OZGE ENGIN a écrit : > Hi all, > > I have a problem with position-restrained (pr) dynamics of a charged residue > in a water box. Up to the position-restrained step, the method worked well; > however, it gave the following error in the pr step: > > Fatal error: > number of coordinates in coordinate file (lysine_b4pr.gro, 767) > does not match topology (lysine.top, 0) > > I could not understand the error because the lysine.top file has already > contained the appropriate numbers of atoms defined for protein, ion, and > solvent molecules. Moreover, I used the same topology file in the preceding > step and it worked. So, what may be the problem? > > Thanks in advance! > > Ozge Engin > > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > > -- _______________________________________________________ Sébastien SANTINI, PhD http://sebastien.santini.free.fr CBMN, Faculté Universitaire des Sciences Agronomiques Passage des déportés, 2 B-5030 Gembloux, BELGIQUE GSM: 00 32 (0)4 98 59 53 65 _______________________________________________________ _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php