Dear all,
I have simulated a small peptide (+2 charge at pH=7) in water. Then i
calculate the interaction energy using "energy_grps = Protein
SOL". The value of different energy terms are as
follows:
Coul-SR:SOL_CL--Protein: -1290
(KJ/mol)
LJ-SR:SOL_CL--Protein: -157
(KJ/mol)
LJ-LR:SOL_CL--Protein: -13
(KJ/mol)
Are these values are reasonable?
Thanks in advance.
Anindita
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