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Q: Should I use a different cut-off scheme for non-bonded interactions when simulating a system with MD in vacuum?

Shoubhik R MaitiI am currently doing a simulation of the behaviour of various sizes of water droplets (~100-1000 water molecules) in vacuum. I am using NAMD with the spherical boundary conditions to keep the droplet in place, and using the CHARMM parameters for simulation. The CHARMM parameter stream files conta...

molecular-dynamics forcefields intermolecular-forces
 

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