Dear AMBER users,
I would like to calculate solvation free energy using RISM at varying
pressures. Specifically, I want to perform calculations at 1 atm, 500 atm,
and 1000 atm. However, I am unsure how to correctly specify these pressure
values in the input file for 3D-RISM.
Any guidance would be greatly appreciated.
*-------------------------------------------------*
*With Regards*
*Angad Sharma*
*Research Scholar*
*School of Computational & Integrative Sciences*
*Jawaharlal Nehru University*
*New Delhi 110067, (INDIA)*
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Received on Sun Feb 02 2025 - 12:30:02 PST
