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<p style="margin-bottom: 0in;">Dear all, <br>
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:<br>Coul-SR:SOL_CL--Protein: -1290
(KJ/mol)<br>LJ-SR:SOL_CL--Protein: -157
(KJ/mol)<br>LJ-LR:SOL_CL--Protein: -13
(KJ/mol)<br>Are these values are reasonable?<br>
Thanks in advance.<br>
Anindita<br>
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