On Thu, Feb 16, 2012, Mahendra B Thapa wrote:
>
> Now, I am trying to calculate time-correlation functions of C-H vecors
> of methyl sidechain of leucine [it has two methyl groups] using ptraj.
> Please help me.
>
> [ in http://archive.ambermd.org/201005/0071.html, I understand that vectors
> are given for N-H vector of backbone, e.g vector v2 :2.N corr :2.H ]
I am not sure what the question is here. Did you try changing the N-H vectors
to C-H vectors? What happened?
(The archive you point to is dealing with IRED, which is unlikely to be helpful
for side-chains.)
...good luck...dac
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Received on Mon Feb 20 2012 - 07:00:02 PST
