restraint backbone to keep secondary structure in coarse grain MD

From: Deng, Jinxia (Nancy) (jinxianancy.deng_at_zoetis.com)
Date: Wed Nov 09 2016 - 10:42:46 CST

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Hi All,

I have beta-hairpin peptide with disulfide bond and I set up coarse grain MD of peptide interacts with membrane model.

I am wondering how to add restraint to the backbone, so that they can keep the beta-hairpin look during all the simulations, while side chain can still move freely...

Looking forward to any input.

Regards,

Nancy

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