All 63 kernel tests PASSED Here follows a list of the lines in reference_s.log and ener.log which did not pass the comparison test within tolerance 0.05 Index Reference This test Error Description 11 -34.5967 -42.0952 0.0977748 1aml.pdb with G53a6 using vsite=none and water=spc 12 -34.5967 -42.0952 0.0977748 1aml.pdb with G53a6 using vsite=none and water=spce There were 2/45 differences in final energy with the reference file pdb2gmx tests FAILED
On Wed, Apr 21, 2010 at 4:36 PM, Liu Shiyong <[email protected]> wrote: > Dear all, > > I download gromacs-4.0.5 and installed it. > > I got the test by git. > > git clone git://git.gromacs.org/regressiontests.git > > > then: > > Testing fe_test . . . PASSED > Testing field . . . FAILED. Check checkvir.out (264 errors) files in field > Testing nacl . . . PASSED > Testing sw . . . PASSED > Testing tip4p . . . FAILED. Check checkvir.out (95 errors) files in tip4p > Testing tip4pflex . . . PASSED > Testing urea . . . PASSED > Testing water . . . FAILED. Check checkvir.out (145 errors) files in water > 3 out of 14 complex tests FAILED > > Best > > > -- > Shiyong Liu > ------------------------------------------------------------------ > Biomolecular Physics and Modeling Group, Department of Physics, > Huazhong University of Science and Technology, Wuhan 430074, Hubei, China > Tel：86-27-87558335-608 > ------------------------------------------------------------------ > Chinese Version: > ------------------------------------------------------------------ > 刘士勇 > 华中科技大学物理学院 生物物理模建小组 > 湖北省武汉市洪山区珞瑜路1037号 > 邮编：430074 > 电话：86-27-87558335-606 > ------------------------------------------------------------------- > -- Shiyong Liu ------------------------------------------------------------------ Biomolecular Physics and Modeling Group, Department of Physics, Huazhong University of Science and Technology, Wuhan 430074, Hubei, China Tel：86-27-87558335-608 ------------------------------------------------------------------ Chinese Version: ------------------------------------------------------------------ 刘士勇 华中科技大学物理学院 生物物理模建小组 湖北省武汉市洪山区珞瑜路1037号 邮编：430074 电话：86-27-87558335-606 -------------------------------------------------------------------
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