Hi,<br><br>As it'll be obvious I'm a beginner with gromacs and started just today with it.<br>The code were already installed though no one has already worked with it. I tried to test with the test script gmxtest.pl, of course. I get all tests passed but two of complex ones in dec+water, fe_test. I also got 1 error telling one of the pdb2gmx stuff failed. <br><br>this is what my checkpot.out for dec+water says:<br>**********************************************************************<br><span style="font-family: arial;">comparing energy file reference_d.edr and ener.edr</span><br style="font-family: arial;"><span style="font-family: arial;">There are 41 terms in the energy files</span><br style="font-family: arial;"><span style="font-family: arial;">There are 5 terms to compare in the energy files</span><br style="font-family: arial;"><span style="font-family: arial;">LJ (SR) step 34:
-0.178265, step 34: -0.167542</span><br style="font-family: arial;"><span style="font-family: arial;">Files read succesfully</span><br>**********************************************************************<br><br>and this is what fe_test says:<br>**********************************************************************<br>comparing energy file reference_d.edr and ener.edr<br>There are 57 terms in the energy files<br>There are 9 terms to compare in the energy files<br><br>G96Bond step 4: 11.7354, step 4: 74.2103<br>G96Bond step 8: 13.11, step 8: 182.306<br>G96Angle step
8: 9.60818, step 8: 10.3652<br>G96Bond step 12: 21.6518, step 12: 247.592<br>G96Angle step 12: 14.0529, step 12: 17.4662<br>Improper Dih. step 12: 5.16314, step 12: 4.79749<br>G96Bond step 16: 28.8964, step 16: 217.778<br>G96Angle step 16: 16.9303, step 16:
27.0049<br>Improper Dih. step 16: 5.69673, step 16: 5.17273<br>G96Bond step 20: 22.329, step 20: 47.8202<br>G96Angle step 20: 17.2602, step 20: 36.2163<br>Improper Dih. step 20: 6.19369, step 20: 5.784<br><br>Files read succesfully<br>**********************************************************************<br><br>regarding pdb2gmx testings, I'm not sure where I should look at.<br><br>How can I find out if I should reinstall it or go on
experiencing?<br><br>regards,<br>Peyman<br><br><br><p> 
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