Any tool on how to calculate grid inhomogenous solvation theory for hydration site in MD simulated structures?

Alvea Tasneem @Alvea-Tasneem

15 January 2023 0 6K Report

Hi,

Are there any freely available tools/software to calculate GIST? especially for Charmm, NAMD, Gromacs input files...

Thank you.

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Science method

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