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<p class=MsoNormal><span style='font-weight:normal'>Dear all, <o:p></o:p></span></p>
<p class=MsoNormal><span style='font-weight:normal'><o:p> </o:p></span></p>
<p class=MsoNormal><span style='font-weight:normal'>I am trying to
perform a simulation with polarizable model using Drude shell particle
approach. What should be the optimum value of fcstep if my shell particle has
zero mass? As far as I can understand, the default value for
fcstep is 0, but can’t understand what does it mean from the
computational point of view.<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-weight:normal'>Let say, what should be
fcstep value if one would like to run SW water model by van Maaren and van der
Spoel? <o:p></o:p></span></p>
<p class=MsoNormal><span style='font-weight:normal'><o:p> </o:p></span></p>
<p class=MsoNormal><span style='font-weight:normal'>Many thanks in advance,<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-weight:normal'>Mikhail<o:p></o:p></span></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal><span lang=EN-GB style='font-family:"Arial","sans-serif";
font-weight:normal'>=============================================<o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-GB style='font-family:"Arial","sans-serif";
font-weight:normal'>Dr Mikhail Stukan<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-family:"Arial","sans-serif";font-weight:
normal'>Schlumberger Dhahran Carbonate Research Center,<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-family:"Arial","sans-serif";font-weight:
normal'>Dhahran Techno Valley - KFUPM,<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-family:"Arial","sans-serif";font-weight:
normal'>P.O. Box 39011, Dammam / Doha Camp 31942,<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-family:"Arial","sans-serif";font-weight:
normal'>Kingdom of Saudi Arabia<o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-GB style='font-family:"Arial","sans-serif";
font-weight:normal'>Tel: +966 3 331 0300 ext 6182<o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-GB style='font-family:"Arial","sans-serif";
font-weight:normal'>Fax:+966 3 330 0845<br>
<a href="mailto:mstukan@slb.com">mstukan@slb.com</a><o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-GB><o:p> </o:p></span></p>
<p class=MsoNormal><o:p> </o:p></p>
<p class=MsoNormal><span lang=EN-GB style='font-family:"Arial","sans-serif";
font-weight:normal'>=============================================<o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-GB style='font-family:"Arial","sans-serif";
font-weight:normal'>Dr Mikhail Stukan<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-family:"Arial","sans-serif";font-weight:
normal'>Schlumberger Dhahran Carbonate Research Center,<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-family:"Arial","sans-serif";font-weight:
normal'>Dhahran Techno Valley - KFUPM,<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-family:"Arial","sans-serif";font-weight:
normal'>P.O. Box 39011, Dammam / Doha Camp 31942,<o:p></o:p></span></p>
<p class=MsoNormal><span style='font-family:"Arial","sans-serif";font-weight:
normal'>Kingdom of Saudi Arabia</span><span style='font-family:"Arial","sans-serif";
font-weight:normal'><o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-GB style='font-family:"Arial","sans-serif";
font-weight:normal'>Tel: +966 3 331 0300 ext 6182<o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-GB style='font-family:"Arial","sans-serif";
font-weight:normal'>Fax:+966 3 330 0845<br>
<a href="mailto:mstukan@slb.com"><span style='color:blue'>mstukan@slb.com</span></a><o:p></o:p></span></p>
<p class=MsoNormal><o:p> </o:p></p>
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