On Thu, Aug 18, 2016, David Case 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.
Update...see AmberTools16 update.13. You can use the "update_amber" script
in $AMBERHOME; or allow the patches to automatically downloaded if you rerun
the "configure" script.
...dac
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Received on Thu Aug 18 2016 - 11:30:03 PDT
