On Mon, Sep 17, 2012 at 6:16 AM, Marc van der Kamp <marcvanderkamp.gmail.com
> wrote:
> Hi,
>
> Just a minor point here: The AMBER12 manual is somewhat ambiguous about the
> support of igb=8 in pmemd.
> (Section 7.2)
>
> Under "New functionality has been added to pmemd since the release of Amber
> 11. These include"
> is listed:
> "Generalized Born model igb=8 enabled"
>
> Whereas under "Specifically the following functionality is missing
> entirely:"
> The following is still specified (which I presume is outdated):
>
You are correct. igb=8 is enabled. We should make a note of the erratum.
Thanks!
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Sep 17 2012 - 09:30:08 PDT
