Hi naimah. 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...).
What sort of data are you interested in? Regards, Jones On Sun, Nov 2, 2008 at 11:17 PM, naimah haron naimah <[EMAIL PROTECTED]>wrote: > how to do molecular dynamics for ionic liquids 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. > > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.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 >
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