There's OME in the leaprc.GLYCAM_06j-1 force field. It looks like I just
need to change charges and add some parameters, and then I can use it.
Thanks again for your advice on my problem.
Holly
On Wed, Dec 30, 2020 at 10:27 AM David A Case <david.case.rutgers.edu>
wrote:
> On Wed, Dec 30, 2020, Holly Freedman wrote:
>
> >Thank you so much, Prof. Case. Just one more question please .. should I
> be
> >able to use the OME end group on this instead of OHE if I prefer to?
>
> Give it try! Of course, look carefully at what you get to see if it makes
> sense. I don't (offhand) see an OME endgroup in the Amber force field
> libraries, so I'm not sure what would be in it. But don't be shy by
> running your own experiments.
>
> ....dac
>
>
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Received on Wed Dec 30 2020 - 12:00:02 PST
