I dont know the details but this link may be useful.<br><a href="http://code.google.com/p/acpype/">http://code.google.com/p/acpype/</a><br><br>Kavya<br><div class="gmail_quote">On Sat, Oct 15, 2011 at 2:01 PM, leila karami <span dir="ltr"><<a href="mailto:karami.leila1@gmail.com">karami.leila1@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Dear gromacs users<br><br>I want to do MD simulation of protein-ligand.<br><br>I read a tutorial by John E. Kerrigan "Tutorial for Trypsin-Benzamidine complex molecular dynamics study." in which<br>
they used acpype.<br>
<br>I want to know what is acpype? a program in gromacs or amber or a pythone file? please explain about that more.<br><br>How to obtain and how to use acpype?<br><br>Any help will highly appreciated.<br><br><br><br><br>
<br>--<br>
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