CCL: Distribution of MMFF94 parameter files



 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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