I am running a 10ns simulation on a 42 mer peptide. I am doing this for predicting the stability of the beta sheet. So I deleted a bond called the lactame bond between two amino acids Lys and Asp. So if I just create mutation at any other position in the beta sheet the mdrun crashes with an error saying that 1-4 interaction between the residues in Lys is greater than the size of the box. Increase the table extension. This seems like system is exploding. But if I mutate those two amino acids to Ala I am not getting that error. So please help me with this. As I need to analyse lots of mutations othen than mutation those two amino acids
Thank you abhigna
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