On Fri, Oct 09, 2015, Vu Truong wrote:
>
> Thanks for your response. Yes, I do have nitrogen molecules in my system
> which is non-standard residues. So do you think if the cut-off distance may
> also be the reason for that error?
There is no reason, per se, that N2 molecules should cause problems, but
double-check the Lennard-Jones and bond parameters you are using. Try a short
simulations without the N2 to see if the vlimit messages go away. Look for
short contacts between the N2 and other atoms in the system.
...good luck....dac
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Received on Sat Oct 10 2015 - 07:00:02 PDT
