On Wed, 1 Jun 2016 16:15:31 +0000 "Nash, Anthony" <a.n...@ucl.ac.uk> wrote:
> In the mean while, do you know of any tutorials (besides the methane > in water FE tutorial) regarding TI for amino acid substitution? I am not aware of one. You could try http://www.alchemistry.org/ > And by “q_off” and “vdw_on/off”, I assume you are referring to the > ‘value’ of the couple-lambda0: parameter? No. I'm referring to the respective lambda paths. Cheers, Hannes. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
