[gmx-users] What the "-max" in gmx anaeig -extr really means?

柯谱 kepu at csrc.ac.cn
Mon Sep 12 13:34:28 CEST 2016


Hi everyone,

                         I am "extrapolating" my PCA result to generate 
a new structure.  That is, I have to manually adjust the coefficients of 
the eigenvectors using *gmx anaeig -extr*. But the manual only indicates 
we can set our own extremes with *-ma**x,* then what is the actual 
interval of our coefficients? Is that [-max, max] or [0, max]?

                 Best wishes,
                         Pu,


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