Re: [gmx-users] make ghost atom

Park, Jae Hyun nmn wrote: Dear all, I would like to change a specific atom into a ghost particle (no interaction with system) after some time (for example, 1ns). Is there any way to implement it in GROMACS? If I need change the code, what file do I have to look at? If you want to

Re: [gmx-users] make ghost atom

I'm not sure if this helps, but have you tried link/ dummy atoms like you use them for QMMM? For dummies add a line to ff***nb.itp where you define them to have neither charge nor weight (also 0 for LJ-pot). Then add them to your topology-file. Check out

[gmx-users] make ghost atom

Dear all, I would like to change a specific atom into a ghost particle (no interaction with system) after some time (for example, 1ns). Is there any way to implement it in GROMACS? If I need change the code, what file do I have to look at? I would deeply appreciate any comments. Jae H. Park