Dear users,
What is the difference between densities predicted by tip4p and spc
models?
I am using tip4p (with OPLSAA forcefield) in the simulation, during position
restrained
dynamics, Average water density is around 1015kg-m-3 at 300K which is quite
far from
expt value..
The Dispersion correction (DIspCorr) is applicable only when we use
vdw_type = cut off?
Any known disadvantage of using vdw_type = switch?
What could be the possible reasons for getting quite noisy and not
equilibrating RMSD
of backbone during MD simulations?
Thanking you
With Regards
M. Kavyashree
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