Ali Homani Tarbiat Modares University 342 days ago

How Can I derive force constant to new molecule in guassian?

Hi Dear Scientists,
I want to parametrize new molecule in Gaussian for using in charmm force field.
I used with this command line to optimize this molecule:
#N B3LYP/ 6-31G(d) Opt Freq
Can anyone help me to derive bond and angle force constant?
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md simulation guassian namd
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