[gmx-users] CompEL bulk offset parameter unavailable in gromacs 5.1.4?

[Vries, de, H.W.]

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