Hi,
I want to put a small molecule (AsO3H3) into a peptide PDB file.
I can calculate and optimize AsO3H via Gaussian or DMol3.
But how to generate the force fied file of AsO3H3?
What I find is the tutorials about protein containing Fe AND Zn.
It still not very clear to me.
Looking forward to hear your reply soon.
Best wishes
Yuan Min
minyuan.mail.ustc.edu.cn
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Received on Wed Nov 29 2017 - 00:00:02 PST
