On Thu, Jul 05, 2018, Meng Wu wrote:
>
> I am going to run a SMD for umbrella sampling, but in the pull step
> I met an error in the mdout file: jar option running Error: No atom
> in residue 189. Here is my RST file:
If you specify igr1, you also have to provide grnam1. The latter does not
default to all atoms in the residue.
...hope this helps....dac
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Received on Thu Jul 05 2018 - 16:00:02 PDT
