On 06/18/2012 08:25 PM, Benjamin D Madej wrote:
> Yes, we primarily use ptraj scripts to do the calculations. That web site is a good resource. I'll repost the link:
> http://www.stfc.ac.uk/cse/25249.aspx
>
> One of our collaborators actually contacted that author to see if they wanted to include their code in the official releases of ptraj, but I don't know what the response was. It'd be nice to include in Amber.
>
> The ptraj 'vector' command can give you the x and y dimension from which you can calculate the box area.
>
> Ben
hello Ben:
thanks so much for helpful comments. I will try that and I will
update it when the analysis is finished.
best
Albert
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Received on Mon Jun 18 2012 - 11:30:03 PDT
