All 63 kernel tests PASSED<br>Here follows a list of the lines in reference_s.log and ener.log which did not<br>pass the comparison test within tolerance 0.05<br>Index Reference This test Error Description<br> 11 -34.5967 -42.0952 0.0977748 1aml.pdb with G53a6 using vsite=none and water=spc<br>
12 -34.5967 -42.0952 0.0977748 1aml.pdb with G53a6 using vsite=none and water=spce<br>There were 2/45 differences in final energy with the reference file<br>pdb2gmx tests FAILED<br><br><br><br><div class="gmail_quote">
On Wed, Apr 21, 2010 at 4:36 PM, Liu Shiyong <span dir="ltr"><<a href="mailto:liushiyong@gmail.com">liushiyong@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Dear all,<br><br>I download gromacs-4.0.5 and installed it.<br><br>I got the test by git.<br><pre>git clone <code>git://<a href="http://git.gromacs.org/regressiontests.git" target="_blank">git.gromacs.org/regressiontests.git</a></code></pre>
<br> then:<br><br>Testing fe_test . . . PASSED <br>Testing field . . . FAILED. Check checkvir.out (264 errors) files in field<br>Testing nacl . . . PASSED <br>
Testing sw . . . PASSED <br>Testing tip4p . . . FAILED. Check checkvir.out (95 errors) files in tip4p <br>Testing tip4pflex . . . PASSED <br>
Testing urea . . . PASSED <br>Testing water . . . FAILED. Check checkvir.out (145 errors) files in water<br>3 out of 14 complex tests FAILED <br>
<br>Best<br><br clear="all"><br>-- <br>Shiyong Liu<br>------------------------------------------------------------------<br>Biomolecular Physics and Modeling Group, Department of Physics, <br>Huazhong University of Science and Technology, Wuhan 430074, Hubei, China<br>
Tel：86-27-87558335-608<br>------------------------------------------------------------------<br>Chinese Version:<br>------------------------------------------------------------------<br>刘士勇<br>华中科技大学物理学院 生物物理模建小组<br>湖北省武汉市洪山区珞瑜路1037号<br>
邮编：430074<br>电话：86-27-87558335-606 <br>-------------------------------------------------------------------<br>
</blockquote></div><br><br clear="all"><br>-- <br>Shiyong Liu<br>------------------------------------------------------------------<br>Biomolecular Physics and Modeling Group, Department of Physics, <br>Huazhong University of Science and Technology, Wuhan 430074, Hubei, China<br>
Tel：86-27-87558335-608<br>------------------------------------------------------------------<br>Chinese Version:<br>------------------------------------------------------------------<br>刘士勇<br>华中科技大学物理学院 生物物理模建小组<br>湖北省武汉市洪山区珞瑜路1037号<br>
邮编：430074<br>电话：86-27-87558335-606 <br>-------------------------------------------------------------------<br>