Dear All,
I want to perform an analysis using ptraj or other analysis tools in Amber
10 for the subjects I wrote below:
1 To calculate Self-diffusion coefficient
- Mean square displacements ( MSD )
- velocity autocorrelation functions
2 To calculate viscosity
- autocorrelation functions of the stress tensors
I searched Amber manuals, tutorials and mail archive. But I couldn't get an
information about obtaining them. I think that Amber can calculate
Self-diffusion coefficient and viscosity. Could you please give me some
information if Amber can be used to obtain Self-diffusion coefficient and
viscosity ? I'm waiting for the user's help who have some experience 0n
calculating them.
Thank you very much for your attention.
Sincerely
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Received on Wed Feb 25 2009 - 01:20:34 PST
