[gmx-users] How to parametrize a new molecule?

Herbert de Castro Georg hcgeorg at ufg.br
Sat Apr 4 03:13:11 CEST 2020


Dear users,

I want to perform a simulation of a molecule inside DNA. I'm probably going
to use CHARMM for DNA. But how do I parametrize the molecule?

Thanks in advance.


Yours,

Herbert Georg


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