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Hi,<br><br>Where did you see this command? which example?<br><br>Best,<br>Ali<br><div><div id="SkyDrivePlaceholder"></div><hr id="stopSpelling">Date: Thu, 7 Feb 2013 17:49:37 -0500<br>From: npatra2@uic.edu<br>To: pw_forum@pwscf.org<br>Subject: [Pw_forum] MD simulation temperature<br><br><span style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);display:inline!important">Hi, </span><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255)">
<br></div><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255)">
I would like to run a md simulation for a chemical reaction at 300K. I see that there is a command "tempw=300" under $ions. I would like to confirm that this is the right input to run MD at 300K.</div><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255)">
<br></div><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255)">
Thank You,</div><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;font-style:normal;font-variant:normal;font-weight:normal;letter-spacing:normal;line-height:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255)">
Niladri Patra</div><br clear="all"><br>-- <br>----------------------------------<br>PhD candidate<br>
Department of Chemistry<div>
University of Illinois at Chicago<br></div>
845 W Taylor St., Room 4500<br>
Chicago, IL 60607<br>
Tel. <a target="_blank">(312) 996-5393</a><br>------------------------------------------<br>
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