Hello,
I am a new user of Amber. Now I have a problem in preparing input (inpcrd and prmtop) files for systems contain metal atoms. there was no atom type of metal atoms in AMBER force filed. How to prepare the input files for systems contain metal atoms?
If using semiempirical method,such as PM6, to do MD simulation, does the charge and atom type are still important and necessary.
Thanks
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Received on Sun Oct 30 2016 - 21:00:03 PDT
