2009/9/16 wuxiao <span dir="ltr"><<a href="mailto:xiaowu759@hotmail.com">xiaowu759@hotmail.com</a>></span><br><div class="gmail_quote"><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
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Dear GMXers,<br>
<br>
For long time, I have had a puzzle: while the top file generally describe interactions in a molecule, intermolecular interactions are not explicitly in the top file. How are these intermolecular interactions described in GROMACS? Thanks a lot for any reply.<br>
</div></blockquote><div><br>The interatomic interactions are described in the forcefield files. And the force field is included in the top file using #include directive.<br>Look for #include <ffXXX.itp> in your top file, where ffXXX.itp is the force field file.<br>
<br></div><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div>
Sincerely,<br>
Chaofu Wu, Dr.<br><br><hr>Messenger保护盾2.0，更安全可靠的Messenger聊天！ <a href="http://im.live.cn/safe/" target="_blank">现在就下载！</a></div>
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Microfluidics Lab<br>Dept. of Mechanical Engg.<br>IIT Kharagpur<br>INDIA<br>