[AMBER] How to calculate the vibrational frequancy

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From: Rasha Alqus <rasha.alqus.manchester.ac.uk>
Date: Tue, 19 Feb 2013 16:47:11 +0000

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Dear Amber users,

Am trying to calculate the vibrational frequency of a compound in vacuum using normal mode analysis, am using Amber 11 and am confused on how to do it using: nmode or mmpbsa_py_nabnmode or using NAB ( Second derivatives and normal modes) programs.

Can some one advice me which programme i should use, and how to use it.

Kind Regards

Rasha
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Received on Tue Feb 19 2013 - 09:00:04 PST