Recalculate vdw in opp files using Python - Githubissues

GunnerLab / Stable-MCCE

Stable version of MCCE.

MIT License

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Recalculate vdw in opp files using Python #227

Closed newbooks closed 1 year ago

newbooks commented 1 year ago

Use ftp file parameters directly
Set ligands vdw to be 0
Fix PAA, PDD bug