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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 |
|---|---|---|
| .. | ||
| ace-ALA-nme.pdb | ||
| command.sh | ||
| conf.gro | ||
| posre.itp | ||
| shot.mdp | ||
| topol.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 |
|---|---|---|
| .. | ||
| ace-ALA-nme.pdb | ||
| command.sh | ||
| conf.gro | ||
| posre.itp | ||
| shot.mdp | ||
| topol.top |