On Wed, 2014-03-26 at 16:24 +0000, hannes.loeffler.stfc.ac.uk wrote:
> I think what I am trying to create is AngleType(99.9, 99.9, -1) and
> this one doesn't exist yet in my parmtop. The 'if not exists' check
> in class setangle is true, so the new type should be in
> parm.angle_type_list. But apparently it is not, at least not when the
> new parm is written out.
Can you send me your topology file so I can have a look at it? (Off-list
would be best)
Thanks!
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Mar 26 2014 - 10:30:02 PDT
