[gmx-users] LJ interactions in gromacs

[凌未风]

Hi, 



I have a technique problem I would like to ask for suggestions. 



I would like to include some dumb atoms in my simulations. These dumb atoms only have LJ interactions with some atoms in the system (e.g., the lipid tails ), but do not interact with the other atoms (e.g., protein, waters). Is this possible in gromacs? If so, how could I do that?


The reason I want to do so is that, I am simulating a membrane protein in a bilayer, and the lipids sometimes come into a cavity of the protein (which is what we do not want to happen). I want to fill the cavity with dumb atoms, so that the lipids will not come in. 



I am really appreciate for any suggestions. Thanks in advance for your help. 



With my best regards, 

RXG