On Wed, Sep 15, 2004, richard dimelow wrote:
> I was wondering if you can constrain the bonds involving hydrogens when
> using nmode to search for transition states or normal modes. Thanks in
> advance.
No...the nmode program doesn't implement SHAKE or any other constraint
algorithm.
....dac
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Received on Wed Sep 15 2004 - 17:53:00 PDT
