[gmx-users] infinite force at the membrane lipid
phanvy120690 at gmail.com
Sat Aug 15 18:41:20 CEST 2015
Dear All gromacs Users,
I want to run the membrane protein simulation. I run the energy
minimization for membrane and protein separately.
After that I combine protein and lipid together and remove the overlapping
when I run energy minimization I got the error "inf at atom on lipid". I
remove the lipid which includes this atom. I got the error several time
and I repeat remove lipid. I see the "inf at atom on lipid" always happens
on lipids which locate at the wall (at the boundary of unit cell).
I successfully run one time when I remove lipids have error, another was
I wonder why the error "inf at atom on lipid" always happens on lipids
which locate at the wall. Maybe I did something wrong about periodic
Thank you for any thoughts.
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