Does anybody have the parameters that were used in Tieleman et. al. J. Phys.:Condens. Matter 18 (2006) S1221-34, or know where they can be obtained? I am specifically refering to the combination of all-atom OPLS protein with united-atom Berger lipids.
I have previously worked with a simpler version of that same combination: http://www.gromacs.org/pipermail/gmx-users/2006-May/021416.html However, this 2006 paper appears to be entirely different. If I understand correctly, the main difference is that they "decided to replace the 1-4 interactions in the lipids (both the electrostatic and the Lennard-Jones components) with dihedral potentials.)" because of the inability to scale coulombics seperately in Gromacs. I am interested in obtaining the parameters (as opposed to re-developing them myself according to the guidelines in that paper) because it will be easier, but more importantly it will ensure accuracy. Many thanks, Chris Neale. _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
