On Fri, Jul 08, 2016, Ming Tang wrote:
> parmed.exceptions.GromacsError: Structure has mixed 1-4 scaling which is
> not supported by Gromacs
>
> I used leaprc.ff14SB and leaprc.GLYCAM_06j-1. Do you have any
> suggestions for me?
The error message is pretty self-explanatory (by Amber standards anyway).
The way 1-4 scaling is handled in GLYCAM is different than for proteins with
ff14SB. This mixed combination is supported by Amber but not by Gromacs.
My suggestion is to carry out the simulation in Amber :-)
...dac
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Received on Thu Jul 07 2016 - 21:00:02 PDT
