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An open and collaborative approach to better force fields

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Science Updates

Science Updates

Torsion Meeting Summary (August 6, 2019)

Posted on 6 Aug 2019 by Jeffrey Wagner and Karmen Condic-Jurkic

Summary from torsion subgroup meeting on August 6, 2019


Property Estimator Meeting Summary (Jul 25, 2019)

Posted on 26 Jul 2019 by Karmen Condic-Jurkic, Owen Madin and Jeff Wagner

Summary from PropertyEstimator subgroup meeting on July 25, 2019


Torsion Meeting Summary (July 23 and 24, 2019)

Posted on 23 Jul 2019 by Jeffrey Wagner and Karmen Condic-Jurkic

Summary from torsion subgroup meetings on July 23 and 24, 2019


Release-1 update (Jul 16, 2019)

Posted on 16 Jul 2019 by Karmen Condic-Jurkic

Details of the first force field optimization sprint


Property Estimator Meeting Summary (Jul 11, 2019)

Posted on 11 Jul 2019 by Karmen Condic-Jurkic, Owen Madin and Jeff Wagner

Summary from PropertyEstimator subgroup meeting on July 11, 2019


Torsion Meeting Summary (Jul 9, 2019)

Posted on 9 Jul 2019 by Karmen Condic-Jurkic and Jeffrey Wagner

Summary from torsion subgroup meeting on July 9, 2019


Property Estimator Meeting Summary (Jun 27, 2019)

Posted on 8 Jul 2019 by Karmen Condic-Jurkic, Owen Madin and Jeff Wagner

Summary from PropertyCalculator subgroup meeting on June 27, 2019


Towards New Fixed Charge Models

Posted on 5 Jul 2019 by Michael Schauperl

An update from the electrostatic subgroup on fixed charge models based on RESP fitting


Torsion Meeting Summary (Jun 25, 2019)

Posted on 25 Jun 2019 by Karmen Condic-Jurkic and Jeffrey Wagner

Summary from torsion subgroup meeting on June 25, 2019


Torsion Meeting Summary (May 28, 2019)

Posted on 28 May 2019 by Karmen Condic-Jurkic and Jeffrey Wagner

Summary from torsion subgroup meeting on May 28, 2019