[gmx-users] trouble minimizing structure with mdrun
tsjerkw at gmail.com
Mon Jan 4 20:22:58 CET 2010
> On Mon, Jan 4, 2010 at 2:44 AM, Tsjerk Wassenaar <tsjerkw at gmail.com> wrote:
>> Hi Jack,
>> 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.
Tsjerk A. Wassenaar, Ph.D.
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