2009/9/16 wuxiao <[email protected]> > Dear GMXers, > > 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. >
The interatomic interactions are described in the forcefield files. And the force field is included in the top file using #include directive. Look for #include <ffXXX.itp> in your top file, where ffXXX.itp is the force field file. Sincerely, > Chaofu Wu, Dr. > > ------------------------------ > Messenger保护盾2.0，更安全可靠的Messenger聊天！ 现在就下载！ <http://im.live.cn/safe/> > > _______________________________________________ > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > Manik Mayur Graduate student Microfluidics Lab Dept. of Mechanical Engg. IIT Kharagpur INDIA
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