Tags: ijpulidos/openmm
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Fixed an error in condensing LJ types in CharmmPsfFile (openmm#3210)
Fixed an error in condensing LJ types in CharmmPsfFile (openmm#3210)
fix Charmm NBThole calculation bug and Improper dihedral parameter ma… …tch issue (openmm#2952) (openmm#3087) * nbthole * Update charmmpsffile.py * Update charmmpsffile.py * Update charmmparameterset.py fix multiple dihedral with the same periodicity and add a warning reminder for improper dihedral * add test example for NBTHole add system files of CYT-GUA-CYT DNA segment for testing NBThole * Update TestCharmmFiles.py Co-authored-by: qiuzy <[email protected]>
Merge pull request openmm#2678 from peastman/741 Updated version number to 7.4.2.
Merge pull request openmm#2477 from peastman/7.4_branch Updated version number to 7.4.1
Merge pull request openmm#2477 from peastman/7.4_branch Updated version number to 7.4.1
Merge pull request openmm#2376 from peastman/methodmap Force generators that don't use PME still accept it as a nonbonded method
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