[gmx-users] How to obtain and how to use acpype

leila karami karami.leila1 at gmail.com
Sat Oct 15 10:31:46 CEST 2011

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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