Search results

Reporting a vulnerability

Status: Open.

#427 In michellab/Sire;

· igibek opened on Apr 10, 2023

Light color theme (new website) not working?

Status: Open.

#423 In michellab/Sire;

· kexul opened on Jan 11, 2023

WaterSwap throws SireError

Status: Open.

#421 In michellab/Sire;

· SofiaBariami opened on Jan 4, 2023

Unable to read GROMACS amber14sb topology

Status: Open.

#413 In michellab/Sire;

· lohedges opened on Nov 4, 2022

How to handle HETATM records in PDB files

Status: Open.

#409 In michellab/Sire;

· lohedges opened on Oct 24, 2022

Broken dummy atoms logic in SOMD

2023.0Work related to the 2023 releaseWork related to the 2023 release

bug

Status: Open.

#408 In michellab/Sire;

· jmichel80 opened on Oct 7, 2022

No way to expose full C++ backtrace to Python

2023.0Work related to the 2023 releaseWork related to the 2023 release

Status: Open.

#405 In michellab/Sire;

· lohedges opened on Oct 3, 2022

Add support for CMAP terms and chamber files

Status: Open.

#400 In michellab/Sire;

· chryswoods opened on Aug 25, 2022

·  

2023.X

UserWarning: SireError::incomplete_code error in tutorial

Status: Open.

#396 In michellab/Sire;

· spadavec opened on Aug 10, 2022

pymbar 4.0

Status: Open.

#395 In michellab/Sire;

· lohedges opened on Jul 21, 2022

A basic implementation of virtual sites in SOMD/OpenMM

help wanted

Status: Open.

#384 In michellab/Sire;

· bieniekmateusz opened on May 17, 2022

TI Gives Non-Zero Free Energy Change with Dummy Perturbation

bug

Status: Open.

#383 In michellab/Sire;

· fjclark opened on May 8, 2022