[gmx-users] Forcefield parameters

Sai Pooja saipooja at gmail.com
Tue Oct 26 21:40:26 CEST 2010


I want to change the non-bonded parameters to modify the interaction between
water molecules and protein molecules.

I am using CHARMM forcefield with Tip3p water.

The ffnonbonded.itp file of the forcefield has non-bonded parameters for
tip3p water. Can I achieve the above by changing these parameters?

If yes, will this also change the non-bonded parameters for water - water


Quaerendo Invenietis-Seek and you shall discover.
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