> I tried with 8 molecules . But it shows the following error, > Invalid order for directive moleculetype, file > ""/usr/local/gromacs/share/gromacs/top/spc.itp"", line 1
Try searching the emailing list for that error. I don't recall the specifics, but it means that you have some line repeated in one of your topology files (.itp or .top), which you have to removed. This issue comes up when there are multiple .itp files called and both of them contain the same line. _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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
