[gmx-users] Normal mode analysis

Mark Abraham Mark.Abraham at anu.edu.au
Fri Aug 21 16:03:39 CEST 2009

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.


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