Hi guys I am trying to generate a .tpr file using grommp in gromacs 4.6.1. Unfortunately I am obtaining a very strange error: ------------------------------------------------------- Program grompp, VERSION 4.6.1 Source code file: /N/u/ortgrp/Quarry/src/gromacs-4.6.1/src/kernel/toppush.c, line: 1336
Fatal error: Atomtype Zn2+ not found For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors ------------------------------------------------------- The problem is that I do not have Zn2+ in my files. Neither in the .gro or in the .top I tried with a previous version 4.5.5 and it worked perfectly. I am using opls and it does not contain Zn2+, so that is more rare. I can not attach the .gro and .top files because the are like 300MB each. Can you tell me something? is this a bug? Thanks John Michael -- View this message in context: http://gromacs.5086.x6.nabble.com/grommp-problem-in-gromacs-4-6-1-tp5008531.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
