luancarvalhomartins / PyAutoFEP

PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
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Can anyone serve a former code? #136

Open Jiang-Lu-CAS opened 6 months ago

Jiang-Lu-CAS commented 6 months ago

I found the latest code had some serious problems for the water system. Can anyone serve me a stable and right code? Thanks.