[gmx-users] Parameters for -Si-Si- chains?

Semen Esilevsky yesint4 at yahoo.com
Tue Jun 23 09:51:39 CEST 2009

Dear All,
Our colleges asked me to do some rather simple MD of the organic-silicone compounds (-Si-Si-Si- backbone with organic radicals), but it appeared to be not so simple because of the force field. Does anybody know about parameters for such systems, which are adapted for GROMACS? I've only found -Si-O- -parameters in standard ffgmx, which is not what I need. OPLS also has no parameters for -Si-Si-Si- chains. Probably somebody know about other force fields from which it is possible to transfer missed parameters?


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