----- Original Message ----- From: Oleksandr <nablaobl...@yahoo.com> Date: Wednesday, June 2, 2010 13:12 Subject: Re: [gmx-users] water clusters MD To: Mark Abraham <mark.abra...@anu.edu.au>
> There is some inconsistency between the top/itp files that > you provided. > The grompp gives an error "Found a second defaults directive." Please do not take discussions off the list. See http://www.gromacs.org/Support for why. My suggested files are not inconsistent. I have only one such directive and there's no way to get a second one without you doing something wrong. I can't have any idea what's happened since, and you haven't bothered to tell me. This particular error occurs regularly with new users, and is discussed here http://www.gromacs.org/Documentation/Errors. This goes to prove my point that you need more general experience of GROMACS before tackling this specific problem. Learn to walk before assuming you can run! Mark -- 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
