<html><body><div style="color:#000; background-color:#fff; font-family:arial, helvetica, sans-serif;font-size:12pt"><div>Dear Gromacs users</div><div>I have downloaded two pdf files which are two mutants of anaplastic lymphoma kinase.</div><div>1))) Is there a tool to show me the differences of these two files, instead of just opening and comparing the files?</div><div>I mean something like gmxcheck which can be used to compare two .tpr files.</div><div>=======================</div><div>2))) I used gmxcheck -s1 nvt.tpr -s2 npt.tpr</div><div><br></div><div>this is part of what I see on the screen:</div><div>v[66145] ( 1.06480e-01 9.85994e-01 -2.44960e+00) - ( 1.63632e+00 -2.50359e-01 -1.80810e+00)<br>v[66146] (-3.80410e-01 1.09785e+00 5.02946e-02) - (-1.09235e+00 5.81441e-01 6.14882e-01)<br>v[66147] (-6.75499e-01 -2.94155e-01 -2.72414e-01) - (-1.56743e-01 3.27000e-01 5.79831e-01)<br>v[66148] (-8.74980e-01
9.58384e-01 2.60418e-01) - ( 5.77259e-01 1.60197e+00 -2.07888e-01)<br>v[66149] (-2.48934e+00 2.33179e+00 5.83937e-01) - (-1.71840e-01 6.66768e-01 -8.41716e-01)<br>v[66150] (-3.37818e-01 1.18446e-01 2.11772e-01) - (-1.61150e-01 3.02961e-01 2.50209e-01)<br>v[66151] ( 5.36540e-01 -4.19213e-01 -1.55670e-01) - (-2.47564e-01 6.73932e-03 -2.75615e-02)</div><div><br></div><div>what does it mean !!!???</div><div><br></div><div>Thanks</div><div>Regards</div><div>D.M</div></div></body></html>