Hello, <br><br>I am sorry those were two different questions.. I wanted to know what <br>this statement actually mean?<br>"The set pressure should reflect whatever system you are trying to model."<br><br>Thank you<br>
With Regards<br>Kavya<br>
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I don't see the connection to my comment about pressure, but I'll address this anyway. There is no temperature during EM. Hence with "gen-vel = no" then no velocities are generated. The settings for gen-temp and gen-seed are defaults that are assigned when none are provided in the input .mdp file.<br>
<br>
I seem to recall that a pressure term is written during EM, but it is largely meaningless.<br><font color="#888888">
<br>
-Justin</font><div><div></div><div class="h5"><br>
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Justin A. Lemkul<br>
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ICTAS Doctoral Scholar<br>
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Virginia Tech<br>
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<a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.<u></u>vt.edu/Pages/Personal/justin</a><br>
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