[gmx-users] view the vibrational modes

Mark Abraham Mark.Abraham at anu.edu.au
Fri Feb 4 01:34:47 CET 2011


On 4/02/2011 10:16 AM, Ramachandran G wrote:
> Hi gmx-users,
>     Is there is any software available to view the vibrational modes 
> selectively for particular wave number from the trajectory file.

This is something that quantum chemists do a lot of, so I'm sure 
GaussView and Spartan can do it. File formatting might be a problem, 
however. Doubtless there is other software - Google probably knows.

Mark



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