Hello,
I am using diffusion command as implemented in ambertools v.13. The manual
says that filename_a.xmgr is average mean square displacement, whereas
filename_r.xmgr is total distance travelled...
Actual calculations show the files are other way round..is it some typo
error in the manual? (in fact the previous manuals don't have this
contradiction)
Asmita
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Received on Fri Jun 07 2013 - 05:30:02 PDT
