<div style="font-family: 'Times New Roman'; font-size: 16px;"><br /><br /><span>On 02/06/10, <b class="name">zuole </b> <zuolezl@msn.com> wrote:</span><blockquote cite="mid:BAY127-W195E08F11FBCA34493EFF9BA530@phx.gbl" class="iwcQuote" style="border-left: 1px solid rgb(0, 0, 255); padding-left: 13px; margin-left: 0pt;" type="cite"><div class="mimepart text html"><span><p>
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Hello,<br />
<br />
I've been reading all of the archived questions on the analysis of REMD in Gromacs, and I'm still a bit confused. It appears that the first step is to use the demux.pl script to demultiplex the REMD trajectories. </p></td></tr></tbody></table></p></span></div></blockquote>That depends on the kind of analysis you wish to perform. If you want trajectories that are structurally continuous but ensemble-discontinuous, use demux.pl. The trajectories written normally are the opposite.<br _moz_dirty="" /><br _moz_dirty="" />Mark<br /><blockquote cite="mid:BAY127-W195E08F11FBCA34493EFF9BA530@phx.gbl" class="iwcQuote" style="border-left: 1px solid rgb(0, 0, 255); padding-left: 13px; margin-left: 0pt;" type="cite"><div class="mimepart text html"><span><p><table><tbody><tr><td class="hmmessage"><p>However, I am unable to find this demux.pl file in the src/contrib/script/ folder. Can anyone please help me out on this? I would really want to know where to find the script or what the content is. <br />
<br />
Thanks,<br />
<br />
Jackie<br /> <br /></p><hr />Hotmail: 免费、可靠、丰富的电子邮件服务。 <a href="https://signup.live.com/signup.aspx?id=60969" target="_blank">立即获取。</a></td></tr></tbody></table>
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