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ChemBioHTP / EnzyHTP

EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling
https://enzyhtp-doc.readthedocs.io
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Check current Amber interface #92

Open shaoqx opened 1 year ago

shaoqx commented 1 year ago

if the interface support have different nmropt settings for multiple minimization called in different part of the workflow. e.g.: PDBMin vs PDBMD