Just I heard that molecular mechanics proton proton transfer should be soon implemented in gromacs. That's why I am, asking it.<br><br><div class="gmail_quote">2011/1/27 Mark Abraham <span dir="ltr"><<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>></span><br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div class="im">On 27/01/2011 9:44 PM, Olga Ivchenko wrote:<br>
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Dear gromacs users,<br>
<br>
I want to ask if is it possible to amke proton proton exchange simulations by now and constant pH simulations in new versions of Gromacs.<br>
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Not sure what you mean, but probably not. See recent publications from Lindahl group for what is possible.<br>
<br>
Mark<br><font color="#888888">
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