[gmx-users] exclude vdw interactions for pair of residues

[Shreyas Supekar]

Dear gmx-users,

I have a system of psuedo-atoms immersed in water. I want no vdw
interactions among the psuedo-atoms but I do need psuesoatom-water
interactions. Basically I need the psuedo-atoms fixed. I know I can use
freeze or position restraints to fix them but the number of psuedo-atoms is
large(~20000) and so its a waste of my computer resources to calculate all
such psudoatom-psuedoatom nonbonded interactions. Please let me know if any
such trick exists.

Thanks,
Shreyas