SHAKE: Constrain EVERY bond length and bond angle

From: Neelanjana Sengupta (
Date: Tue Jan 16 2007 - 13:21:52 CST

Sorry for the repeat email. But can the following (rigidly constraining
every bond and angle) be done with the SHAKE algorithm?

I would like to perform a simulation where I contrain all atomic bond length
and bond angles. I know that "rigidBonds all" constrains the bond between
every H-atom and the atom it is bonded to.
However, I need to figure out how to rigidly constrain every bond
length andbond angle....

Thanks in advance,

Neelanjana Sengupta, PhD student
Dept. of Chemistry
Univ. of California-Irvine
Irvine, CA 92697
Phone: 1-949-824 9921

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