simon sangma wrote:
Hi!
I am a user of gromacs. Could someone provide me with a method (or set
of commands) for normal mode analysis of small molecules (water, n-butane,
etc). Also could you please provide a command for generating Hessian Matrix
after the energy minimization.
You should start by reading the section of the manual that deals with
these techniques.
You're far more likely to get helpful responses if you demonstrate that
you're prepared to work towards your goals (i.e. read documentation, try
commands out) and have specific, focussed questions.
Mark
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