pmx: generate hybrid protein structure and topology
Computational Biomolecular Dynamics Group
pmx web server
We would like to invite you to participate in the upcoming one-day meeting
"Free Energy Calculations from Molecular Simulation"
31st of May 2017, London
Structure file (.pdb):
Force field selection:
Number of mutations:
Perform a scan:
1. Chain ID
1. Amino acid
1. Mutate to:
B (aspartate protonated)
J (glutamate protonated)
X (histidine: only Nε2 protonated)
H (histidine: only Nδ1 protonated)
Z (histidine: Nε2, Nδ1 protonated)
O (lysine unprotonated)
Use pdb2gmx to assign hydrogens?
Submit the query:
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