From owner-chemistry@ccl.net Mon Feb  5 04:07:00 2018
From: "Oellien, Frank frank.oellien%%abbvie.com" <owner-chemistry|*|server.ccl.net>
To: CCL
Subject: CCL: ICCS2018 - Opened Registration & Extended Submission Deadline
Message-Id: <-53167-180205035142-14166-XXiFdHqVaMe+ozY+RWhnQg|*|server.ccl.net>
X-Original-From: "Oellien, Frank" <frank.oellien:_:abbvie.com>
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Date: Mon, 5 Feb 2018 08:50:48 +0000
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Sent to CCL by: "Oellien, Frank" [frank.oellien,+,abbvie.com]
Dear Colleagues,

we have opened the registration for the 11. International Conference on Chemical Structures – ICCS2018 (http://www.int-conf-chem-structures.org/ May 27-31, 2018, Noordwijkerhout, The Netherlands).
Please note that there is an early bird option in place until the end of March.

We also have extended the deadline for the submission of oral contributions and posters until February 15th.

The ICCS is one of the oldest (going back into 1973) international conference series in the field of Molecular Modeling, Cheminformatics and Structure-based Drug Design and is jointly supported by 8 chemical societies.

The conference will be accompanied by 4 software workshops and a large exhibition.

For a detailed list of scientific topics please look here: http://www.int-conf-chem-structures.org/call-for-papers.html

Students can apply for bursaries.

Best regards,
Frank Oellien (on behalf of the organization team)


________________________________

Sitz der Gesellschaft: Wiesbaden - Registergericht: AG Wiesbaden HRA 9790
Persönlich haftende Gesellschafterin: AbbVie Komplementär GmbH
Sitz der persönlich haftenden Gesellschafterin: Wiesbaden - Registergericht: AG Wiesbaden HRB 26371
Geschäftsführer: Dr. Patrick Horber, Thomas Scheidmeir, Dr. Stefan Simianer, William J. Chase
Vorsitzende des Aufsichtsrats: Dr. Azita Saleki-Gerhardt

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From owner-chemistry@ccl.net Mon Feb  5 09:14:00 2018
From: "David Danovich david.danovich*o*gmail.com" <owner-chemistry()server.ccl.net>
To: CCL
Subject: CCL:G: point charges in gamess-usa
Message-Id: <-53168-180205091245-26318-R2r6S5GAMuNHLXuCn7IpuQ()server.ccl.net>
X-Original-From: "David  Danovich" <david.danovich!=!gmail.com>
Date: Mon, 5 Feb 2018 09:12:42 -0500


Sent to CCL by: "David  Danovich" [david.danovich(!)gmail.com]
Dear members of CCL,

Is it possible to add to DFT or RHF calculations in Gamess-USA point charge (or charges) 
like in Gaussian09 using charge keyword(XYZ coordinates and charge like 0.0 0.0 2.0 -1.0).
It is also possible in some other QM programs but I did not find the way to do this in 
Gamess-USA.


Thank you in advance   David