On Wed, May 13, 2020, Piia Kokkonen wrote:
>
>
>Also, could I get short instructions how to "add the LJ parameters to the
>hydrogen"?
Run parmed and use the "lmod" action, save result to a new prmtop file.
These may not be the optimal parameters, but they should help tell if
this is the origin of your problem or not.
....dac
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Received on Wed May 13 2020 - 13:30:02 PDT
