[gmx-users] Center-of-Mass motion removal setting for Membrane system with multiple peptides.
abhi117acharya at gmail.com
Wed Sep 28 16:39:43 CEST 2016
Thank you Eric for your clarification. However, I have seen that in
membrane simulations, its is suggested to couple membrane, and solvent and
solute to two different COM groups. The argument is that in case of
membrane systems, there is an inherent tendency of lateral drift of
membranes; with a single COM for the whole system, even though the COM
would remain essentially unchanged, there may be appreciable drift of the
membrane relative to the rest of the system. Could you possibly shed some
light on this?
Following the above argument, probably for my system I should assign
membrane to one COM group and the rest of the system (including solute
solvent and the peprides ) to other. What do you think?
More information about the gromacs.org_gmx-users