<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:14pt"><div>Dear users<br></div><div style="font-size: 14pt; font-family: 'times new roman', 'new york', times, serif; "><div style="font-size: 12pt; font-family: 'times new roman', 'new york', times, serif; "><div id="yiv408229673"><div style="color: rgb(0, 0, 0); background-color: rgb(255, 255, 255); font-size: 14pt; font-family: 'times new roman', 'new york', times, serif; "><div><div><br></div><div><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps">The simulation</span> <span class="yiv408229673hps">box contains just</span></span> water molecules</div><div><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps"><br></span></span></div><div><span id="yiv408229673result_box" class="yiv408229673short_text" lang="en"><span
class="yiv408229673hps">---- Commands ----</span></span><br></div><div><br><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps"></span></span></div><div><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps">pdb2gmx -f water.pdb -posrefc 0</span></span></div><div><br><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps"></span></span></div><div><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps">Force Field : AMBER99SB-ILDN - Water TIP3P<br></span></span></div><div><br><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps"></span></span></div><div><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps">editconf -f conf.gro -bt cubic -box 5 5 5</span></span></div><div><br><span id="yiv408229673result_box"
class="yiv408229673" lang="en"><span class="yiv408229673hps"></span></span></div><div><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps">genbox -cp out.gro -cs spc216.gro -o 5.gro -p topol.top</span></span></div><div><br><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps"></span></span></div><div><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps">grompp -f min.mdp -c 5.gro -p topol.top</span></span></div><div><br><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps"></span></span></div><div><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps">mdrun -s topol.tpr</span></span></div><div><br><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps"></span></span></div><div><span id="yiv408229673result_box"
class="yiv408229673" lang="en"><span class="yiv408229673hps">grompp -f md.mdp -c confout.gro -p topol.top -o md.tpr</span></span></div><div><br><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps"></span></span></div><div><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps">mdrun -s md.tpr</span></span></div><div><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps"><br></span></span></div><div><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps">1. </span></span><span class="Apple-style-span" style="font-family: arial, sans-serif; font-size: 24px; "><span class="hps"><span class="Apple-style-span" style="font-size: 18px; "><font class="Apple-style-span" face="'times new roman', 'new york', times, serif">Whether</font></span></span><span class="Apple-style-span" style="font-size:
large;"><font class="Apple-style-span" face="'times new roman', 'new york', times, serif"> </font></span><span class="hps"><span class="Apple-style-span" style="font-size: large;"><font class="Apple-style-span" face="'times new roman', 'new york', times, serif">is</font></span></span><span class="Apple-style-span" style="font-size: large;"><font class="Apple-style-span" face="'times new roman', 'new york', times, serif"> </font></span><span class="hps"><span class="Apple-style-span" style="font-size: large;"><font class="Apple-style-span" face="'times new roman', 'new york', times, serif">correct</font></span></span><span class="Apple-style-span" style="font-size: large;"><font class="Apple-style-span" face="'times new roman', 'new york', times, serif"> </font></span><span class="hps"><span class="Apple-style-span" style="font-size: large;"><font class="Apple-style-span" face="'times new roman', 'new york', times,
serif">simulation</font></span></span><span class="Apple-style-span" style="font-size: large;"><font class="Apple-style-span" face="'times new roman', 'new york', times, serif"> </font></span><span class="hps"><span class="Apple-style-span" style="font-size: 18px; "><font class="Apple-style-span" face="'times new roman', 'new york', times, serif">pure water ?</font></span></span></span></div><div><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps"><br></span></span></div><div><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps"><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps">2.Chart potential 170 ns.png (attach)</span> <span class="yiv408229673hps">shows</span> <span class="yiv408229673hps">the electric field 0.003 v/nm !?</span> whereas <span class="yiv408229673hps">applied</span> <span
class="yiv408229673hps">electric field 0.000001 v/nm in md.mdp(attach).</span></span><br></span></span></div><div><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps"><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps"><br></span></span></span></span></div><div><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps"><span id="yiv408229673result_box" class="yiv408229673" lang="en"><span class="yiv408229673hps"><span id="yiv408229673result_box" class="yiv408229673short_text" lang="en">Do I <span class="yiv408229673hps">wrong in the a</span></span><span class="yiv408229673hps">pplied</span> <span class="yiv408229673hps">electric field 1000 v/m ?</span></span></span></span></span></div></div></div></div><br><br></div></div></div></body></html>