[Ifeffit] trying to run artemis again

doug pease dougpease at comcast.net
Thu Jun 10 03:57:51 CDT 2004


Thank you Carlo and Shelly,

I think the warning message is that "rmax is greater than the distance to the most distant atom"  .  My cluster size I put into ATOMS the last time I ran this is 5.5.  The message then says rmax,ratx  5.5000   5.09117.
(My experimental data goes to R = 6.) No matter what cluster size I choose I get the same warning with ratx less than rmax by a small amount. I have tried several cluster sizes and always get the same warning.

Sincerely,

Doug
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