[gmx-users] Free energy calculation of Histone

Ayesha Kanwal ayesha_comsian at hotmail.com
Thu Jan 10 02:44:44 CET 2019


Dear all users,
I am new for using GROMACS. and also read the tutorial of Methane and water. I have already simulated data of 100 ns for four histones. I want to know how to calculate free energy solvation from this data. which topology file and coordinate files I will use?
I will appreciate your good suggestions.

Regards
Ayesha



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