[gmx-users] g_sas by 3.3.1 and 3.3.2 give different results
Yin Jian
smayinj at nus.edu.sg
Fri Oct 12 04:43:55 CEST 2007
Hi David,
I used g_sas modules in version 3.3.1 and 3.3.2 but got not the
Same results as follows
================================
tail sas331.xvg sas332.xvg
==> sas331.xvg <==
399982 20.4122 3.54058 23.9528 25.8919
399984 20.3506 3.38663 23.7372 27.7211
399986 19.9196 3.60215 23.5217 25.9177
399988 19.6425 3.54057 23.1831 26.6648
399990 20.3814 3.41742 23.7988 25.7631
399992 20.2582 3.35585 23.6141 25.9176
399994 20.5661 3.38664 23.9528 26.8451
399996 19.1807 3.479 22.6597 25.5827
399998 19.7656 3.38663 23.1523 25.0932
400000 20.8432 3.41742 24.2606 26.639
==> sas332.xvg <==
399982 20.9664 2.9864 23.9528 -1.15934
399984 22.3826 1.35466 23.7372 4.01904
399986 21.5205 2.00119 23.5217 -0.721367
399988 21.1511 2.03198 23.1831 4.86922
399990 20.8124 2.98639 23.7988 -7.65164
399992 20.8124 2.80167 23.6141 9.42928
399994 22.321 1.63174 23.9528 6.23466
399996 20.7201 1.93962 22.6597 10.6917
399998 20.6277 2.52458 23.1523 -4.94651
400000 22.752 1.50859 24.2606 3.73564
=====================================
What's the matter? Thanks
Regards,
Jian
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