Hi Rob,
On 4/5/2011, at 9:04 a.m., r smith wrote:
> Since it appears Amoeba may not recognize the atom types I'm using, what
> files would need to be modified to add parameters to Amoeba?
I think what you would need to do is write an FRCMOD file that supplies the missing parameters. For details, see:
http://ambermd.org/formats.html#frcmod
Can others clarify whether an FRCMOD file works for AMOEBA?
Ben
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Received on Wed May 04 2011 - 11:30:03 PDT
