You shouldn't have [atomtypes] where you declared it below.
> Message: 2 > Date: Tue, 25 Aug 2009 16:35:49 +0530 > From: abhijit kayal <kayalabhijiti...@gmail.com> > Subject: [gmx-users] water simulation > To: gmx-users@gromacs.org > Message-ID: > <ee62aaa60908250405m2684390dvbbcec90802989...@mail.gmail.com> > Content-Type: text/plain; charset="iso-8859-1" > > Hi, > With my grompp.mdp,topol.top and gonf.gro i gave the command and the output > was > [abhi...@scfbioserver gromacs]$ grompp -f grompp.mdp -p topol.top -c > conf.gro -o water.tpr > :-) G R O M A C S (-: > > ------------------------------------------------------- > Program grompp, VERSION 4.0.4 > Source code file: topio.c, line: 415 > > Fatal error: > Syntax error - File topol.top, line 4 > Last line read: > '[ atomtypes ]' > Invalid order for directive atomtypes > ------------------------------------------------------- -- Vitaly V. Chaban, Ph.D. (ABD) School of Chemistry V.N. Karazin Kharkiv National University Svoboda sq.,4, Kharkiv 61077, Ukraine email: cha...@univer.kharkov.ua,vvcha...@gmail.com skype: vvchaban, cell.: +38-097-8259698 http://www-rmn.univer.kharkov.ua/chaban.html =================================== !!! Looking for a postdoctoral position !!! =================================== _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://lists.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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
