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I want to do simulation on a molecule thats not parametrized before. I want to use gromacs as simulation package and opls all atom forcefield. How can I parametrize this molecule to obtain...
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I'm using gromacs and both all atom and coarse grained forcefields are necessary. Regards.
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l want to build a Custom nucleic acid with 5' to 2' base attachment direction. is there any special software to do it or should I use software like Avogadro?
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