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Questions related from Zahra Alavi
Hi all, In an attempt to reproduce the simulations in https://www.nature.com/articles/srep08405#:~:text=However%2C%20in%20the%20case%20of,into%20a%20phosphorprotein%20interaction%20domain. I'm...
01 October 2023 4,673 3 View
I created the .str file for my ligand (7LD) by uploading the .mol2 file on CGenff. When executing: python cgenff_charmm2gmx.py 7LD 7LD_fix.mol2 7LD.str charmm36-feb2021.ff I get the...
13 June 2021 6,026 2 View