Well, neither am I .. So, I just saw the error and no warning and
deleted the output ...
Anyhow, we are trying your second tip with parmed now and see if this
works properly.
Thanks again
Vlad
On 08/07/2012 04:49 PM, Jason Swails wrote:
> On Tue, Aug 7, 2012 at 10:32 AM, Vlad Cojocaru <
> vlad.cojocaru.mpi-muenster.mpg.de> wrote:
>
>> No Jason, I don't get this warning because I get the error and the
>> program crashes beforehand ...
>>
> But that warning should be emitted before the aaradi subroutine is called
> (since that's where radiopt is overwritten with inp=2). But perhaps I'm
> missing something, since I'm not an expert with the PBSA code.
>
> All the best,
> Jason
>
--
Dr. Vlad Cojocaru
Max Planck Institute for Molecular Biomedicine
Department of Cell and Developmental Biology
Röntgenstrasse 20, 48149 Münster, Germany
Tel: +49-251-70365-324; Fax: +49-251-70365-399
Email: vlad.cojocaru[at]mpi-muenster.mpg.de
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Received on Tue Aug 07 2012 - 08:00:04 PDT
