[gmx-users] Own Coarse Grained ff

Steven Neumann s.neumann08 at gmail.com
Tue Nov 20 15:02:29 CET 2012

Dear Gmx Users,

I want to simulate protein based on my own LJ parameters between
different types of residues. I will be given sets of parametrs for
given sizes of beads to then apply them and valide by atomistic
simulations. My question:
1. What is the best way to build different sizes of beads for given
pdb file? Any softwarer?
2. How can I get bonded parametrs between my beads?



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