Hi everyone,
I am using TIP3P water and 99SB force field to do MD simulations of a
protein-ligand system.
I understand that people used 8, 9, 10 angstroms for cutoff, and it seemed
to me that performance (when PME was on) instead of accuracy was the major
factor in choosing the cutoff value.
I wonder, if I could implement different cutoff values for VDW and
electrostatic interactions (i.e. in GROMACS), would that be theoretically
better to use 9 angstroms for electrostatic cutoff and 14 angstroms for the
VDW?
Thanks for any advice.
Yun
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Received on Sat Nov 26 2011 - 11:30:03 PST
