[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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