<html>
<head>
<meta content="text/html; charset=windows-1252"
http-equiv="Content-Type">
</head>
<body text="#000000" bgcolor="#FFFFFF">
<div class="moz-cite-prefix">Hi,<br>
<br>
We might need a wiki entry for this, since this is a question that
keeps popping up, but it's unfortunately not easy to answer.<br>
<br>
Berk<br>
<br>
On 10/10/2014 02:37 PM, Mark Abraham wrote:<br>
</div>
<blockquote
cite="mid:CAMNuMATny_hzRA3n2v1FnHHYRx1MDjtcTycRMoCve1ZMtAacgA@mail.gmail.com"
type="cite">
<meta http-equiv="Content-Type" content="text/html;
charset=windows-1252">
<div dir="ltr">Hi,
<div><br>
</div>
<div>The simple answer is "in most of them" :-) The non-bonded
kernels where they are computed come in lots of physics and
hardware flavours, and then there is a lot infrastructure that
coordinates accumulating them properly. We can point you in
the right direction if we know what you're trying to achieve,
though.</div>
<div><br>
</div>
<div>Mark</div>
</div>
<div class="gmail_extra"><br>
<div class="gmail_quote">On Fri, Oct 10, 2014 at 12:53 PM, IÑIGO
SAENZ <span dir="ltr"><<a moz-do-not-send="true"
href="mailto:inigo.saenz01@estudiant.upf.edu"
target="_blank">inigo.saenz01@estudiant.upf.edu</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
<div dir="ltr">
<div>
<div>Hi,<br>
<br>
</div>
Does anyone know in which .C file are the LJ and Coulomb
short range interactions energies calculated, please?<br>
I'm getting crazy studying the gromacs' source code and
I cannot find the right .C file where those calculations
are made.<br>
<br>
Iñigo Sáenz<br>
</div>
Universitat Pompeu Fabra, Barcelona.<br>
</div>
<br>
--<br>
Gromacs Developers mailing list<br>
<br>
* Please search the archive at <a moz-do-not-send="true"
href="http://www.gromacs.org/Support/Mailing_Lists/GMX-developers_List"
target="_blank">http://www.gromacs.org/Support/Mailing_Lists/GMX-developers_List</a>
before posting!<br>
<br>
* Can't post? Read <a moz-do-not-send="true"
href="http://www.gromacs.org/Support/Mailing_Lists"
target="_blank">http://www.gromacs.org/Support/Mailing_Lists</a><br>
<br>
* For (un)subscribe requests visit<br>
<a moz-do-not-send="true"
href="https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-developers"
target="_blank">https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-developers</a>
or send a mail to <a moz-do-not-send="true"
href="mailto:gmx-developers-request@gromacs.org">gmx-developers-request@gromacs.org</a>.<br>
</blockquote>
</div>
<br>
</div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<br>
</blockquote>
<br>
</body>
</html>