Hi naimah.<br><br>Sorry for the late replay, but I was travelling. What kind of ionic liquids are you interested in? If they are the dialkyl-immidazolium ones, I'm doing simulations on these systems for quite some time now (please look at these references: Journal of Physical Chemistry B, v. 112, p. 8966-8974, 2008; Journal Of Physical Chemistry B, Washington, v. 106, n. 14, p. 3546-3548, 2002; Journal Of Physical Chemistry B, Washington, v. 106, n. 51, p. 13344-13351, 2002), and already have a few of them on gromacs topology files ready (Unfortunatelly, not many due to recent problems in the computer...).<br>
<br>What sort of data are you interested in?<br><br>Regards,<br><br>Jones<br><br><div class="gmail_quote">On Sun, Nov 2, 2008 at 11:17 PM, naimah haron naimah <span dir="ltr"><<a href="mailto:cimot_ima98@yahoo.com">cimot_ima98@yahoo.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><div>
<div>how to do <span style="border-bottom: 1px dashed rgb(0, 102, 204); background: transparent none repeat scroll 0% 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">molecular dynamics</span> for <span style="border-bottom: medium none; background: transparent none repeat scroll 0% 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">ionic liquids</span> by using GROMACS. Can u tell me the correct method to do molecular dynamics and which topologies are suitable for use with NMR-type calculations or all-atom force fields.</div>
</div></div><br>
</div><br>_______________________________________________<br>
gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br>
<a href="http://www.gromacs.org/mailman/listinfo/gmx-users" target="_blank">http://www.gromacs.org/mailman/listinfo/gmx-users</a><br>
Please search the archive at <a href="http://www.gromacs.org/search" target="_blank">http://www.gromacs.org/search</a> before posting!<br>
Please don't post (un)subscribe requests to the list. Use the<br>
www interface or send it to <a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>.<br>
Can't post? Read <a href="http://www.gromacs.org/mailing_lists/users.php" target="_blank">http://www.gromacs.org/mailing_lists/users.php</a><br></blockquote></div><br>