-
leeping authoredAdd a warning if the [ pairs ] doesn't match the 1-4 list, and zero out 1-4 interactions not specified
e9299976
| Name |
Last commit
|
Last update |
|---|---|---|
| .. | ||
| command.sh | ||
| shot.mdp | ||
| toluene_cyclohexane_10_500.gro | ||
| toluene_cyclohexane_10_500.top |
Add a warning if the [ pairs ] doesn't match the 1-4 list, and zero out 1-4 interactions not specified
| Name |
Last commit
|
Last update |
|---|---|---|
| .. | ||
| command.sh | ||
| shot.mdp | ||
| toluene_cyclohexane_10_500.gro | ||
| toluene_cyclohexane_10_500.top |