Hi
GB models in Amber are designed for protein and nucleic simulations.
I believe that nanotube structures were not used for training GB
parameters. But you can give it a try for igb1 or igb7 or igb8; it depends
on what you want to learn.
Hai
On Wed, Sep 5, 2012 at 1:28 PM, jit mukherjee <jitiitkgp.gmail.com> wrote:
> Thanks for your reply. I mentioned previously that my system is a carbon
> nanotube system functionalized with nucleic acid base, e.g., adenine.
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Received on Wed Sep 05 2012 - 15:30:03 PDT
