...
View file | ||
---|---|---|
|
Assigned param in fit0-FF | QM-MM relative energies | Structure |
---|---|---|
TIG1a | ||
TIG1a | ||
TIG3 | ||
TIG6 | ||
TIG1b | ||
t104 | ||
TIG1a | ||
TIG3 | ||
TIG1a | ||
TIG4 | ||
TIG1a | ||
TIG1b | ||
TIG1b | ||
TIG4 | ||
TIG3 | ||
TIG4 | ||
TIG3 | ||
TIG7 | ||
TIG3 | ||
TIG1a | ||
t58 | ||
...
View file | ||
---|---|---|
|
Assigned param in fit0-FF | QM-MM relative energies | Structure |
---|---|---|
TIG1a | ||
TIG1a | ||
TIG3 | ||
TIG6 | ||
TIG1b | ||
t104 | ||
TIG1a | ||
TIG3 | ||
TIG1a | ||
TIG4 | ||
TIG1a | ||
TIG1b | ||
TIG1b | ||
TIG4 | ||
TIG3 | ||
TIG4 | ||
TIG3 | ||
TIG7 | ||
TIG3 | ||
TIG1a | ||
t58 | ||