I can't figure out how to put the coulombic potential only between residues in chain A and residues in chain B, but not between residues that are in the same chain.
Thanks, Esteban 2010/8/28 Justin A. Lemkul <[email protected]> > > > ithu wrote: > >> Hi everybody, >> >> I want to apply a coulombic potential between charged residues in a >> coarse-grain model, but between residues that belong to different chains of >> a protein complex. Both chains are name as molecule A and molecule B in the >> topology file. >> > > What specific problem are you having? In order to get useful advice, > you'll have to describe exactly what you're doing and why it's not working > when you think it should. A variety of models for treating electrostatic > interactions are available in Gromacs. > > -Justin > > > >> Thank you very much, >> Esteban >> >> > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > 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 > -- ------------------------------------------------------------ El porvenir está en los huevos: bobbyybobby.blogspot.com ------------------------------------------------------------
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