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. 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.