[gmx-users] System is exploding

[abhigna polavarapu]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20070320/254d9564/attachment.html>