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Dear users,<div><br></div><div>I have a question about vdwtype. My question is if I use vdwtype=shift in nvt.mdp file:</div><div><br></div><div>; Neighborsearching</div><div>ns_type<span class="Apple-tab-span" style="white-space:pre"> </span>= grid<span class="Apple-tab-span" style="white-space:pre"> </span>; search neighboring grid cels</div><div>nstlist<span class="Apple-tab-span" style="white-space:pre"> </span>= 5<span class="Apple-tab-span" style="white-space:pre"> </span>; 10 fs</div><div>rlist<span class="Apple-tab-span" style="white-space:pre"> </span>= 1.0<span class="Apple-tab-span" style="white-space:pre"> </span>; short-range neighborlist cutoff (in nm)</div><div>rcoulomb<span class="Apple-tab-span" style="white-space:pre"> </span>= 1.0 <span class="Apple-tab-span" style="white-space:pre"> </span>; short-range electrostatic cutoff (in nm)</div><div>; Method for doing Van der Waals</div><div>vdwtype = shift</div><div>; cut-off lengths </div><div>rvdw-switch = 0</div><div>rvdw = 0.9,</div><div><br></div><div>I have this error:</div><div><div>Fatal error:</div><div>With dispersion correction rvdw-switch can not be zero for vdw-type = Shift</div></div><div><br></div><div>That I don't know how can I solve this problem.</div><div><br></div><div>Thank you </div> <br /><hr />Hotmail: Powerful Free email with security by Microsoft. <a href='https://signup.live.com/signup.aspx?id=60969' target='_new'>Get it now.</a></body>
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