Hi,
I am looking for opls topology files for butanol, hexanol, and heptonal.
I have been using opls itp for methanol, ethanol and propanol which are
available with the gromacs package, but itp for longer alcohol are not
available.
I have the following two question.
Where could I find those parameters?
If I need to construct them myself, where could I get started?
Thank you.
Regards,
Zhuyi
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