The reason I want to do this is to compare the energy of both the peptide chains to find out whether they has reached equilibrium or not (it should be not much different between them as they are identical peptide chains). Therefore, I think by comparing the total energy for each of the peptide chain will do.. is that right?
<br><br>Thanks.<br><br><div><span class="gmail_quote">On 02/11/2007, <b class="gmail_sendername">Mark Abraham</b> <<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Huey Ling Tan wrote:<br>> Hi all,<br>><br>> I am simulating 2 peptide chains in a box. May I know is it possible<br>> to calculate energy profile of each of the peptide chains with time steps?<br><br>How will you define the energy of a peptide chain, and what will it tell
<br>you?<br><br>Mark<br>_______________________________________________<br>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a href="http://www.gromacs.org/mailman/listinfo/gmx-users">
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</a><br></blockquote></div><br><br clear="all"><br>-- <br>Best regards,<br>Huey Ling