[gmx-users] topologies for Si-containing polymers

Alex nedomacho at gmail.com
Fri Jun 30 22:21:31 CEST 2017


Hi all,

Does anyone happen to have OPLS-AA topologies or topology generators for
silicon-containing polymers? Something
like Cyanopropylmethyl-Dimethylsilicone. Default OPLS-AA has no idea about
bonded parameters in these things and I was wondering if someone maybe had
some experience with simulating similar things already.

Thank you,

Alex


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