Hi Jack, > On Mon, Jan 4, 2010 at 2:44 AM, Tsjerk Wassenaar <[email protected]> wrote: >> Hi Jack, >>
<snip> >> After preparation with (V|NA)MD, did pdb2gmx correctly assign chains, >> or did it tie chains together? In the latter case it would have issued >> a number of "Long Bond Warnings". Did anything else odd show up in >> the output of any of those steps? Did you actually read through it? Post pdb2gmx/grompp output to help us help you. Cheers, Tsjerk -- Tsjerk A. Wassenaar, Ph.D. Computational Chemist Medicinal Chemist Neuropharmacologist -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
