Thanks again.
Emmanuel
On Wed, Jun 22, 2011 at 9:56 AM, David A Case <case.biomaps.rutgers.edu>wrote:
> On Wed, Jun 22, 2011, Emmanuel Baribefe Naziga wrote:
>
> > Thanks David and Jason. I have all the output now. I have another
> question
> > though. Is there a way to know if SCEE and SCNB sections are read from
> the
> > topology file in this calculation?
>
> They are not. NAB doesn't (yet) know about the possibility for having
> variable SCEE and SCNB values in the prmtop file. These are just
> constants,
> either the defaults, or values that you enter in the mm_options command.
>
> [Note: the manual seems to omit scnb and scee in the mm_options table in
> section 17.1. But they are really there, as you can see from examining the
> mm_options.l file. Some developer could volunteer to cross check the
> manual
> with with mm_options.l file....]
>
> ....dac
>
>
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Received on Wed Jun 22 2011 - 10:00:03 PDT
