Getting the warning message "One or more atoms are time integrated more than once".

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1

Hi,
I am getting this warning message - “One or more atoms are time integrated more than once” repeatedly. I have attached the lammps input script and the input config file with the atom coordinates. Could somebody please advise as to why I get this warning message.

Regards,
Saketh.

alpha8108Silica5a.txt (178 KB)

Silica1.txt (1.11 KB)

2

Hello, Saketh:

It's because you're using both the nve and npt fixes on all atoms. You shouldn't do that. Probably you just want the npt fix.

--AEI