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35 Open 262 Closed
35 Open 262 Closed
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Issues list

Reporting a vulnerability
#427 opened Apr 10, 2023 by igibek
Light color theme (new website) not working?
#423 opened Jan 11, 2023 by kexul
5
WaterSwap throws SireError
#421 opened Jan 4, 2023 by SofiaBariami
2
Unable to read GROMACS amber14sb topology
#413 opened Nov 4, 2022 by lohedges
2
How to handle HETATM records in PDB files
#409 opened Oct 24, 2022 by lohedges
3
Broken dummy atoms logic in SOMD 2023.0 Work related to the 2023 release bug
#408 opened Oct 7, 2022 by jmichel80
@lohedges @chryswoods
@jmichel80 @annamherz
23
No way to expose full C++ backtrace to Python 2023.0 Work related to the 2023 release
#405 opened Oct 3, 2022 by lohedges
2
Add support for CMAP terms and chamber files
#400 opened Aug 25, 2022 by chryswoods 2023.X
@chryswoods
2
UserWarning: SireError::incomplete_code error in tutorial
#396 opened Aug 10, 2022 by spadavec
2
pymbar 4.0
#395 opened Jul 21, 2022 by lohedges
2
A basic implementation of virtual sites in SOMD/OpenMM help wanted
#384 opened May 17, 2022 by bieniekmateusz
3
TI Gives Non-Zero Free Energy Change with Dummy Perturbation bug
#383 opened May 8, 2022 by fjclark
5
LJ Correction Gives -inf bug
#372 opened Feb 23, 2022 by fjclark
1
8
Numerical instability at 4 fs with the LangevinMiddleIntegrator
#370 opened Feb 17, 2022 by msuruzhon
19
Molecule numbers from AMBER parmtop/inpcrd start with 2
#369 opened Feb 15, 2022 by halx
7
Scale factors lost converting from AMBER to GROMACS
#337 opened Jan 26, 2021 by jthorton
15
Reading/using virtual sites automatically
#331 opened Nov 16, 2020 by SofiaBariami
3
SOMD version
#327 opened Oct 2, 2020 by jmichel80
@jmichel80
SOMD refactoring enhancement help wanted question wishlist
#324 opened Sep 2, 2020 by lohedges
3
Cell representation in DCDFile.py question
#323 opened Sep 2, 2020 by lohedges
@jmichel80
2
Building Sire on Power9 architecture
#320 opened Aug 7, 2020 by djcole56
18
output energy data in SOMD
#305 opened Jan 20, 2020 by ElsaDsml
subsampling energies in somd-freenrg
#304 opened Jan 20, 2020 by ElSmaele
Virtual Sites Implementation
#299 opened Oct 24, 2019 by SofiaBariami
5
Handling SYBYL atom type in Mol2 parser enhancement help wanted wishlist
#291 opened Aug 28, 2019 by ppxasjsm
@lohedges
3
ProTip! Follow long discussions with comments:>50.