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 - 09:30:03 PST
