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openmm
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openmm-xtb
OpenMM plugin to interface with XTB
MIT License
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Does the XtbForce reassign atomic charges?
#11
kimjc95
opened
3 weeks ago
0
Issues with serializing the new system
#10
kimjc95
closed
1 month ago
1
Debug CI
#9
peastman
closed
1 month ago
1
Force fields for modeling systems with xtb
#8
peastman
closed
1 month ago
0
Force fields for xtb
#7
peastman
closed
1 month ago
0
Updated README
#6
peastman
closed
2 months ago
0
Fixed error when applying force to only part of the system
#5
peastman
closed
7 months ago
0
Does not work with atom subset
#4
sef43
closed
7 months ago
7
Conda forge package?
#3
sef43
closed
2 months ago
1
Enable CI
#2
peastman
closed
9 months ago
6
Initial version
#1
peastman
closed
9 months ago
0