I can't figure out how to put the coulombic potential only between residues in chain A and residues in chain B, but not between residues that are in the same chain.<br><br>Thanks,<br>Esteban<br><br><div class="gmail_quote">
2010/8/28 Justin A. Lemkul <span dir="ltr"><<a href="mailto:jalemkul@vt.edu">jalemkul@vt.edu</a>></span><br><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<div class="im"><br>
<br>
ithu wrote:<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
Hi everybody,<br>
<br>
I want to apply a coulombic potential between charged residues in a coarse-grain model, but between residues that belong to different chains of a protein complex. Both chains are name as molecule A and molecule B in the topology file.<br>
</blockquote>
<br></div>
What specific problem are you having? In order to get useful advice, you'll have to describe exactly what you're doing and why it's not working when you think it should. A variety of models for treating electrostatic interactions are available in Gromacs.<br>
<br>
-Justin<div class="im"><br>
<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<br>
Thank you very much,<br>
Esteban<br>
<br>
</blockquote>
<br></div>
-- <br>
========================================<br>
<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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