Search results

Unclear use of idivf

Status: Open.

#104 In openforcefield/smirnoff99Frosst;

· diogomart opened on Sep 12, 2019

Provide provenance info for ion parameters

Status: Open.

#103 In openforcefield/smirnoff99Frosst;

· j-wags opened on Sep 3, 2019

Standard release process

Status: Open.

#97 In openforcefield/smirnoff99Frosst;

· j-wags opened on Jul 4, 2019

Bad C-O single bond length for ethers

Status: Open.

#95 In openforcefield/smirnoff99Frosst;

· cbayly13 opened on Jun 25, 2019

Fix missing torsion issue from Roche set

Status: Open.

#93 In openforcefield/smirnoff99Frosst;

· davidlmobley opened on Jun 21, 2019

Possible issues with out-of-plane aryl amines in minimized geometries

potential bugPotential issues that merit investigationPotential issues that merit investigation

Status: Open.

#92 In openforcefield/smirnoff99Frosst;

· jchodera opened on Jun 13, 2019

Differences in how some torsions are modeled in SMIRNOFF vs GAFF for a molecule in FreeSolv

Status: Open.

#79 In openforcefield/smirnoff99Frosst;

· maxentile opened on Aug 24, 2018

Can we control the author list on Zendo?

question

Status: Open.

#78 In openforcefield/smirnoff99Frosst;

· bannanc opened on Jul 25, 2018

Make torsions next to nitro groups consistent

Status: Open.

#77 In openforcefield/smirnoff99Frosst;

· bannanc opened on Jun 14, 2018

Add parameter assignment/energy comparison tests

enhancement

Status: Open.

#67 In openforcefield/smirnoff99Frosst;

· bannanc opened on Nov 28, 2017

Protonated carbonyl parameters

Status: Open.

#64 In openforcefield/smirnoff99Frosst;

· bannanc opened on Nov 18, 2017

How do we Validate changes in SMIRNOFF?

enhancement

question

Status: Open.

#63 In openforcefield/smirnoff99Frosst;

· bannanc opened on Nov 9, 2017