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1 parent 66606d5 commit acfdf11Copy full SHA for acfdf11
namd/tests/interface/003_reinitatoms/AutoDiff/test.colvars.traj
@@ -43,7 +43,7 @@
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39 6.88300617631749e+00 -3.72442767426713e+01 -8.83006176317490e-01
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40 6.88218411453200e+00 -2.66371930519242e+01 -8.82184114532001e-01
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# step rgyr ft_rgyr fa_rgyr
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- 40 6.79302548471894e+00 -nan -7.93025484718935e-01
+ 40 6.79302548471894e+00 0.00000000000000e+00 -7.93025484718935e-01
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41 6.79123478804224e+00 1.47884739101504e+01 -7.91234788042243e-01
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42 6.78960135015216e+00 6.31388772773012e+01 -7.89601350152160e-01
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43 6.78822556441034e+00 1.06473629117400e+02 -7.88225564410344e-01
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