CCL: Distribution of MMFF94 parameter files
- From: Joseph Leonard <jleonard42{:}gmail.com>
- Subject: CCL: Distribution of MMFF94 parameter files
- Date: Mon, 15 Jun 2015 14:41:31 -0400
Sent to CCL by: Joseph Leonard [jleonard42|,|gmail.com]
Hmm... Not sure anybody still maintains this stuff. Tom Halgren
went from Merck to Schrodinger and I assume he's retired from there.
Simon left Merck a while back and I'm not sure where he ended up.
Perhaps somebody at Merck might be looking after this, but there's a
chance it's "frozen in time" and avail on CCL as is?
What do you need re: this?
Joe
On Mon, Jun 15, 2015 at 10:18 AM, Rene Thomsen
rene.thomsen_-_qiagen.com <owner-chemistry%a%ccl.net> wrote:
>
> Sent to CCL by: "Rene Thomsen" [rene.thomsen^qiagen.com]
> Hi,
>
> I have a few questions regarding distribution of MMFF94 parameter files.
>
> Dr. Simon Kearsley is listed as the contact person on the MMFF94s
Validation Suite webpage (
> http://www.ccl.net/cca/data/MMFF94s/).
>
> Unfortunately, I have not been able to get in touch with Simon via email or
LinkedIn.
> Is there anyone here who know whether he is still the contact person
regarding MMFF94 issues?
>
> Kind regards,
> Rene
> ---
> Rene Thomsen
> Senior Scientific Developer
>
> QIAGEN Aarhus
> Silkeborgvej 2, Prismet
> DK-8000 Aarhus C
>
> www.clcbio.com
> rene.thomsen__qiagen.com>
>
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