[gmx-users] opls topology for butanol, hexanol, heptanol
alfred532008 at gmail.com
Sat Mar 17 20:55:39 CET 2012
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
I have the following two question.
Where could I find those parameters?
If I need to construct them myself, where could I get started?
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