I'm trying to rule out the effect of electrostatic or Van der Waals interactions while performing a simulation. Do you mean that I should modify the code and re-compile?<br><br>
<div class="gmail_quote">2009/2/23 Justin A. Lemkul <span dir="ltr"><<a href="mailto:jalemkul@vt.edu">jalemkul@vt.edu</a>></span><br>
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<div class="Ih2E3d"><br><br>Lee Soin wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Hi!<br>Is there an option to turn off electrostatic or Van der Waals interactions in GROMACS?<br><br></blockquote>
<br></div>Look into the free energy code; if this is not your intent, be more specific with what you are trying to do.<br><br>-Justin<br><br>
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<div class="Ih2E3d">-- <br>Sun Li<br>Department of Physics<br>Nanjing University, China<br><br><br></div>------------------------------------------------------------------------<br><br>_______________________________________________<br>
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Graduate Research Assistant<br>Department of Biochemistry<br>Virginia Tech<br>Blacksburg, VA<br>jalemkul[at]<a href="http://vt.edu/" target="_blank">vt.edu</a> | (540) 231-9080<br><a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin</a><br>
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Nanjing University, China<br>