Thank you, Justin. Your answer saved my time from further searching the web.<br><br><div class="gmail_quote">On Fri, May 28, 2010 at 1:16 PM, Justin A. Lemkul <span dir="ltr"><<a href="mailto:jalemkul@vt.edu">jalemkul@vt.edu</a>></span> wrote:<br>
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XUEMING TANG wrote:<br>
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Hi <br>
I noticed a new position restraint com function of Gromacs (Implement new position restraints that restrain particles with respect to the center of mass of a group (e.g. for cluster simulations).) How can I get detailed mdp file set up for this function? Is it a pr.mdp or md.mdp with pull code?<br>
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I'm guessing you found that information here?<br>
<br>
<a href="http://www.gromacs.org/Developer_Zone/Roadmap" target="_blank">http://www.gromacs.org/Developer_Zone/Roadmap</a><br>
<a href="http://www.gromacs.org/Developer_Zone/Programming_Guide/Position_Restraints_Development" target="_blank">http://www.gromacs.org/Developer_Zone/Programming_Guide/Position_Restraints_Development</a><br>
<br>
The "Roadmap" list is a bit outdated, but for the most part, if it doesn't say "Done" then it hasn't actually been implemented. What's shown online is basically a to-do list.<br><font color="#888888">
<br>
-Justin</font><div class="im"><br>
<br>
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<br>
Thanks in advance!<br>
<br>
Best!<br>
Max<br>
<br>
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-- <br>
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<br>
Justin A. Lemkul<br>
Ph.D. Candidate<br>
ICTAS Doctoral Scholar<br>
MILES-IGERT Trainee<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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