quantaosun/Ambertools-OpenMM-MD
Open Source, Mostly just clicking mouse to finish a simulation with Ambertools and OpenMM. It was designed to use locally but another notebook to finish the simulaiton on Colab was attached as well.
Jupyter Notebook
Issues
- 0
Reminder:openmm import
#5 opened by quantaosun - 0
- 2
Could not find prot_lig_prod_all.dcd
#3 opened by pharm-dacnhan - 0
- 13
How to run MMGBSA with OpenMM?
#1 opened by mainguyenanhvu