[gmx-users] Interaction energy

[ANINDITA GAYEN]

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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