Re: Topology and parameters for Sodium dodecanoate

From: Mayne, Christopher G (
Date: Wed Nov 04 2015 - 08:05:46 CST

This is trivial using the CHARMM General Force Field.
The head group will simply be the carboxylate, with the sodium ion as a separate residue.

Christopher Mayne


Does anybody know what's the best way to generate topology and parameter
files for sodium dodecanoate? I can use dodecyl group of another
surfactant, but I'm not sure about COONa headgroup.


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