Hi, I have scaled the non-bonded parameters(charges and epsilon) of tip3p atoms in ffnonbonded.itp file(charmm forcefield). They are scaled by a ratio of 3/5. The simulation is then run at 500K for the protein water system. The temperature exploded after first 20 steps. This does not happen if I run the simulations with the unscaled parameters. I have also tried this with T=400 and temperature remains stable.
Pooja -- Quaerendo Invenietis-Seek and you shall discover.
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