Constraint bonds that does not include hydrogrens

From: Karteek Bejagam (karteek4_at_vt.edu)
Date: Wed Dec 21 2016 - 23:00:55 CST

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Dear NAMD users,

I would like to constrain a bond that does not involve hydrogen.

I have tried to use "rigidBonds all" but it fails.

Can anyone help me to figure out any way to constrain the bond?

I was looking for algorithms like SHAKE/RATTLE/SETTLE to constrain a bond.

Thanks in advance,

Karteek

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