On Wed, May 16, 2007, S. Jamal Rahi wrote:
>
> I am trying out the thermodynamic integration tutorials I have found
> online:
> http://amber.scripps.edu/tutorial/shirts/index.html
> or
> http://dasher.wustl.edu/bio5476/labs/lab-05/c162.html
>
> Sander is giving me the same error in both cases and I am unable to find
> any information about it online:
>
>
> -----------------------------------------------------------------------
> Output file:
> ....
> numgroup must be 2 if icfe is set
>
> *** input error(s)
> -----------------------------------------------------------------------
The tutorial is written for Amber 8, and has not (yet) been updated for Amber
9. Note that this tutorial is no longer linked from basic tutorial page
(
http://amber.scripps.edu/tutorials/). If you want to see how to do TI
in Amber 9, look at tutorial A6.
...dac
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Received on Sun May 20 2007 - 06:07:08 PDT
