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Pull requests: openmm/openmm

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Pull requests list

Added atomSubset option to DCDReporter and XTCReporter
#4741 opened Nov 26, 2024 by peastman Loading…
1
Optimize bonded forces by reducing intra-warp atomic conflicts
#4634 opened Aug 28, 2024 by ex-rzr • Draft
3
Implementation of vectorangle function
#4362 opened Dec 18, 2023 by cabb99 Loading…
10
Support auth_seq_id in _struct_conn PDBx section
#4345 opened Dec 7, 2023 by pechersky Loading…
1
2
Virtual site for symmetric molecules
#4185 opened Aug 14, 2023 by peastman Loading…
1 of 2 tasks
33
Increase Nonbonded threads on AMD GPUs
#4002 opened Mar 19, 2023 by bdenhollander Loading…
11
[macOS GPU Support] Optimize findBlocksWithInteractions for Apple silicon GPUs
#3959 opened Feb 12, 2023 by philipturner • Draft
1
25
Allow all MC barostats to scale constrainted atom groups
#3797 opened Oct 1, 2022 by z-gong Loading…
14
Add all Amber ion params
#3773 opened Sep 11, 2022 by aizvorski Loading…
19
Adding bond types & orders to standard amino acid bonds and cys-cys bonds
#3770 opened Sep 8, 2022 by RiesBen Loading…
25
Changed some counters from int32 to int64 in CUDA and OpenCL
#3577 opened Apr 21, 2022 by Dann239 Loading…
62
Updated build instructions
#3127 opened May 27, 2021 by Yoshanuikabundi Loading…
2
27
Changes to metadynamics
#3092 opened Apr 14, 2021 by dlukauskis Loading…
5
Updated plugin path lookup to use OPENMM_INSTALL_PREFIX.
#3089 opened Apr 9, 2021 by wilkie Loading…
6
error in _mbondi3_radii
#2794 opened Aug 4, 2020 by ajasja Loading…
9
Add explicit statement of domain of torsion phase to docs
#1422 opened Mar 15, 2016 by jchodera Loading…
12
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