[gmx-users] OPLS-AA parameters for dimethylsiloxane

Alex nedomacho at gmail.com
Thu Mar 8 01:15:59 CET 2018

Hi all,

Before I start possibly reinventing the wheel, does anyone here have a
decent OPLS-AA topology for dimethylsiloxane? LipParGen produces a
topology, but for a different FF, and the otherwise excellent OPLS-AA
topology builder from ERG fails outright. Not exactly a Gromacs question, I

There is of course this work: https://pubs.acs.org/doi/abs/10.1021/jp047434r
but I thought I'd ask before I start hammering it into something
Thank you,


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