<div>Dear Mark,</div>
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<div>Thanks a lot for your advices! Acctually I didn't read many topics about the MD, but to start with Gromacs quickly, could you kindly sent me some parameter files (*.mdp) that you usually use?</div>
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<div>Thany you so much again!<br> </div>
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<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid"> From: Mark Abraham <<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>><br>To: Discussion list for GROMACS users <<a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a>><br>
Date: Sun, 13 Apr 2008 20:00:02 +1000<br>Subject: Re: [gmx-users] How to heat a system and equilibrate it?<br>shuai lu wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px; BORDER-LEFT: #ccc 1px solid">Hello all,<br> What does it mean by saying "the system was slowly heated to 310 K and equilibrated for 150 ps at 310 K to allow full relaxation of the system"? How to heat a system and equilibrate it?<br>
</blockquote><br>It will be good for you to start with some tutorial material (see GROMACS wiki and website), and/or background reading on molecular dynamics simulations, and then to come back with some more focussed questions.<br>
<br>Mark<br></blockquote></div>