Lennard-Jones
Webinar by Andreas Krämer: Automated Optimization Approaches for the CHARMM Lipid Force Field (Dec 17, 2019)Posted on 2 Dec 2019
by Karmen Condic-Jurkic
Andreas Krämer will talk about automated optimization of the CHARMM36 lipid force field on Dec 17 at 2 pm (ET).
Release-1 update (Aug 15, 2019)Posted on 20 Aug 2019
by Karmen Condic-Jurkic
Details of the first force field optimization sprint and meeting notes from #release-1 call on Aug 15, 2019
Property Estimator Meeting Summary (Aug 08, 2019)Posted on 8 Aug 2019
by Karmen Condic-Jurkic
Summary from PropertyEstimator subgroup meeting on August 8, 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
Release-1 update (Jul 16, 2019)Posted on 16 Jul 2019
by Karmen Condic-Jurkic
Details of the first force field optimization sprint
Towards New Fixed Charge ModelsPosted on 5 Jul 2019
by Michael Schauperl
An update from the electrostatic subgroup on fixed charge models based on RESP fitting