On Thu, Nov 07, 2013, maghtar wrote:
>
> It seems nomde() has been under ptraj before but it is through NAB now. I
> am not sure if the ouputs are same.
I think you are confusing normal mode analysis with quasiharmonic analysis.
The former is done with NAB, the latter with ptraj (or now, with cpptraj).
I think the output formats for the vecs file are the same.
> So far I have only found this software:
> http://structbio.vanderbilt.edu/archives/amber-archive/2004/1805.php
> but I have difficulties to install it.
The IED plugin is now outdated, since the way VMD interacts with python has
changed. You might look here: http://www.csb.pitt.edu/prody/ (Note:
I've not used this one myself.)
...dac
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Received on Thu Nov 07 2013 - 05:00:03 PST
