Dear Amber users,
I tried aMD with amber12 but I get this error after submitting the
simulation. As far as I know my energy calculations should be fine. Can you
think of any possible reason for such error:
onbond cells need to be recalculated, restart simulation from previous
checkpoint
with a higher value for skinnb.
At line 310 of file mdin_ewald_dat.F90 (unit = 5, file = 'prod_MD.in')
Fortran runtime error: End of file
Regards,
Maryam
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Received on Mon Nov 03 2014 - 23:30:02 PST
