On Wed, Oct 7, 2020 at 11:05 AM David A Case <david.case.rutgers.edu> wrote:
> We may have to wait for Dan to re-appear. But will it work to put the
I'm here, I promise!
> "start/stop/offset" values on your trajin command, rather than on
> trajout?
>
> >I don't want to run electrostatics on 2000 files before ensuring that it is
> >giving meaningful E differences between two protein redox states.
>
> Can't you just delete the pdb files you don't want, and run
> electrostatics on the remaining ones?
>
> ....dac
>
>
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Received on Wed Oct 07 2020 - 09:00:02 PDT
