On Fri, Oct 16, 2015 at 1:57 PM, Rahul Ramesh <raramesh.umich.edu> wrote:
> Hey Jason
> When I add the leaprc.constph for creating a prmtop/inpcrd file ,
> frcmod.constph gets loaded. So I'm guessing the improper terms are added
> when I create my prmtop file.
>
Do you use the same atom types in your custom residue as are used in AS4
and GL4? If you used gaff to parametrize your molecule, then the answer to
that would be 'no', and so those parameters would not have been applied to
your molecule (since the atom types would not have matched).
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Oct 16 2015 - 13:00:08 PDT
