[gmx-users] Polarizable Li+ Drude Simulations
lourenco.tuanan at gmail.com
Tue Nov 17 18:18:39 CET 2015
Hi, My name is Tuanan and I am a Ph.D Student from Brazil.
I am trying simulate Li+ using the polarizable force field of Roux (J.
Chem. Theor. Comput., (2010), 6, 774-786) but I don't understand how i
create my Li+ structure PDB file.
I must insert a Drude particle in Li+ PDB file??? Someone would have a
tutorial or a example of PDB file of monovalent ion with polarizable force
field based on Drude?
Thank you for all.
MSc. Tuanan C Lourenço
Ph.D Student Physical Chemistry - Universidade Federal Fluminense
Molecular Modelling and Computer Simullation Group - UFF
MOLMOD-CS WEBSITE <http://molmod-cs.weebly.com/>
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