Dear gromacs users I want to do MD simulation of protein-ligand.
I read a tutorial by John E. Kerrigan "Tutorial for Trypsin-Benzamidine complex molecular dynamics study." in which they used acpype. I want to know what is acpype? a program in gromacs or amber or a pythone file? please explain about that more. How to obtain and how to use acpype? Any help will highly appreciated.
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