<br><br><div class="gmail_quote">On Tue, Jun 12, 2012 at 4:42 PM, rama david <span dir="ltr"><<a href="mailto:ramadavidgroup@gmail.com" target="_blank">ramadavidgroup@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
THANK YOU Justin,<br><br>
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Can't post? Read <a href="http://www.gromacs.org/Support/Mailing_Lists" target="_blank">http://www.gromacs.org/Support/Mailing_Lists</a><br></blockquote></div><br>Hello Justin, <br><br>In the last message you said "SA protocol simply heats and cools water, which I don't think accomplishes much".. can you suggest the other paramaters that must be used achieve, lets say the proper folding of loops in a GPCR.<br>
<br><br><br><br><br clear="all">Secondly.,,In temperature coupling he used 310 for the non protein system and a range of temeratures from 310-323-310 for simulated aneealing.. how the program treats the couling temperatures and annealing temperatures (310 and 310-323-310)..<br>
Can you explain what temperature is applied to what groups in simple membrane system with a GPCR system.. <br><br>; Temperature coupling is on<br>tc-grps = Protein Non-Protein ; two coupling groups - more accurate<br>
ref_t = 310 <span style="background-color:rgb(204,204,204)"> </span><span style="color:rgb(255,0,0)"><span style="background-color:rgb(204,204,204)">310</span> </span> ; reference temperature, one for each group, in K<br>
;sim anealing<br>annealing_time = 0 200 400 600 0 200 400 600 <br>annealing_temp = 310 323 300 310 310 323 300 310 .<br><br>'(Sorry if it feels like a premature question.. But I'm a beginner )<br>
Thanks <br><br>-- <br>------------Virus<br>