Respected Marc Sir, Thanks for your information.
Thanking you, Pawan On Tue, Mar 31, 2009 at 5:31 PM, Marc F. Lensink <lens...@bigre.ulb.ac.be>wrote: > On Tue, Mar 31, 2009 at 07:23:57AM -0400, Justin A. Lemkul wrote: > > > > Force fields have to be internally self-consistent, so using the > parameters > > from OPLS with Berger lipids will give spurious results. The only proper > > combinations are Gromos/Berger or OPLS/converted Berger. > > as long as one takes care of what one's doing, including proper > validation, it's okay. there is no one and unique lipid force field. > berger parameters are directly derived from opls (see berger et al, > biophys. j. 72 (1997), 2002). they use the gromos combination rules > but reduce the non-bonded 1,4 LJ by a factor of 8. in any case, > whatever you do, validation of the results is essential. see also: > http://pubs.acs.org/doi/abs/10.1021/la804150p > > cheers, > marc > _______________________________________________ > 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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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