Which QM method in Gromacs are you using?<br><br><div class="gmail_quote">On Tue, May 10, 2011 at 5:41 PM, Yao Yao <span dir="ltr"><<a href="mailto:yao0o@ymail.com" target="_blank">yao0o@ymail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<table cellspacing="0" cellpadding="0" border="0"><tbody><tr><td valign="top" style="font:inherit">Hi <span>gmxers</span>,<div><br></div><div>I am just wondering how to give a linking atom's coordinates in a qmmm calculation generally.</div>
<div>Would it be normal to take an arithmetic average of two neighboring qmmm-layer-bonding atoms' coordinates?</div><div><br></div><div>Thanks,</div><div><br></div><font color="#888888"><div>Yao<br><div><br></div><div>
<br></div></div></font></td></tr></tbody></table><br>--<br>
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