Hi Daniel,
Thanks for the response. I will definitely check the new version out, I am
not doing any united atom so it should be good.
However, could you tell me the difference between the SCD_H1 and SCD_H2?
>From what I understand about SCD, you need both the hydrogens to define a
plane, so shouldn't there be just one value per CH2 triplet?
Chitrak.
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Received on Fri Feb 09 2018 - 11:30:03 PST
