On Thu, Aug 18, 2016, Ye Mei wrote:
> two extra lines are needed in the "addAtomTypes" section in leaprc.gaff2
>
> { "n8" "N" "sp3" }
> { "nv" "N" "sp2" }
thanks....some other changes are needed as well. I was hoping to work with
Junmei to bundle these and (potentially) other things in gaff2 as well into
a single update, but Junmei has been unable to work on these things this
summer.
So: apologies all around...we'll try to get out an update "soon"(!)
...dac
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Received on Thu Aug 18 2016 - 06:30:04 PDT
