[gmx-users] Modulation of protein water intermolecular interactions

Sudipta Sinha sudipta.iitrpr at gmail.com
Thu Feb 21 06:09:15 CET 2019

Hi All,

How can I modulate only the protein water interaction in gromacs. I just
want to increase or decrease only the interaction (i,e scaling of
interaction strength) between the water and protein and perform the
equilibrium MD simulation at reduced or increased  interaction strength.


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