[gmx-users] How to obtain and how to use acpype
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.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users