> On 18. Jun 2017, at 13:40, Vries, de, H.W. <h.w.de.vrie...@student.rug.nl> > wrote: > > dear all, > > I am employing the computational electrophysiology scheme in gromacs 5.1.4. > I want to set a bulk-offset parameter, such that the scheme only does > position exchanges in a region that is remotely enough from my protein. > > However, it seems that I am not able to set the 'bulk-offset' parameter in > any way. Literature review/companion websites however suggest that it is > possible, but my mdout-file suggests that the option simply isn't there. > Yes, some of the options are only available in newer versions of CompEL. Please use v 2016 if you need the bulk-offset parameter.
Best, Carsten > Could anyone give me clearance on this? The protocol currently swaps ions > close to the proteins that extend out of my nanopore, and it seems to make > my simulation unstable. > > > best regards, > > Henry de Vries > > -- > Henry de Vries > Student Topmaster Nanoscience > Micromechanics of Materials Group > tel: +31 (0)6-30520328 > office: X5113.0129 > Nijenborgh 4, 9747AG > Groningen, Netherlands > -- > 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. -- 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.