This major release candidate is identical to v2.0.0-rc.1 Sage except that the angle value for a16 has been changed to 180.0 * degree, as the previous value of 183 * degree causes geometry optimizers to fail to converge. This force field is applicable to druglike molecules consisting of the elements C, H, O, N, P, S, F, Cl, Br, and I, and the monoatomic ions Li+, Na+, K+, Rb+, F-, Cl-, Br-, and I-. The nonbonded parameters in this force field were optimized assuming use with TIP3P water, and so TIP3P parameters are included in the force field. Provided that early use of this force field shows no major deficiencies, this may be promoted to the full Sage release
This release adds our initial attempt at porting TIP3P and TIP3P-FB water models with Juong-Cheatham...
Small Molecule Force Field Development: Valence Parameter Optimization Pavan Behara Mobley Lab, UC...
The main feature of this release is the overhauling of how the framework computes the gradients of o...
This force field is identical to 2.0.0-rc.2 Sage except that: The parameter IDs have been renumbere...
The new force field files in this release contain identical physical parameters to those in openff-2...
We introduce the Open Force Field (OpenFF) 2.0.0 small molecule force field for drug-like molecules,...
The contents of this major release candidate are adapted from https://github.com/openforcefield/open...
This is a record for the blog post entry published on the openforcefield.org website on Oct 19, 2019...
This version: Finishes migration of many tools from smarty to openforcefield Removes outdated examp...
Force fields form the basis for classical molecular simulations, and their accuracy is crucial for t...
Presentation about the Open Force Field efforts in the "Development of Intermolecular Potential Mode...
The Open Force Field (OpenFF) initiative was formed to produce open and extensible infrastructure to...
Added monovalent ion parameters (Joung/Cheatham) for TIP3P as default, explained in detail in the op...
We present a methodology for defining and optimizing a general force field for classical molecular s...
Short summary The new force field files in this release are adapted from the openff-1.3.0 release, e...
This release adds our initial attempt at porting TIP3P and TIP3P-FB water models with Juong-Cheatham...
Small Molecule Force Field Development: Valence Parameter Optimization Pavan Behara Mobley Lab, UC...
The main feature of this release is the overhauling of how the framework computes the gradients of o...
This force field is identical to 2.0.0-rc.2 Sage except that: The parameter IDs have been renumbere...
The new force field files in this release contain identical physical parameters to those in openff-2...
We introduce the Open Force Field (OpenFF) 2.0.0 small molecule force field for drug-like molecules,...
The contents of this major release candidate are adapted from https://github.com/openforcefield/open...
This is a record for the blog post entry published on the openforcefield.org website on Oct 19, 2019...
This version: Finishes migration of many tools from smarty to openforcefield Removes outdated examp...
Force fields form the basis for classical molecular simulations, and their accuracy is crucial for t...
Presentation about the Open Force Field efforts in the "Development of Intermolecular Potential Mode...
The Open Force Field (OpenFF) initiative was formed to produce open and extensible infrastructure to...
Added monovalent ion parameters (Joung/Cheatham) for TIP3P as default, explained in detail in the op...
We present a methodology for defining and optimizing a general force field for classical molecular s...
Short summary The new force field files in this release are adapted from the openff-1.3.0 release, e...
This release adds our initial attempt at porting TIP3P and TIP3P-FB water models with Juong-Cheatham...
Small Molecule Force Field Development: Valence Parameter Optimization Pavan Behara Mobley Lab, UC...
The main feature of this release is the overhauling of how the framework computes the gradients of o...