On Wed, Oct 07, 2020, Vaibhav Dixit wrote:
>I removed the onlyframes flag, but now it is writing all 2000 pdb files and
>some how ignoring the " 1 last 100" like options
>This is strange to me, I can't figure out where it is going wrong.
We may have to wait for Dan to re-appear. But will it work to put the
"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 - 08:30:03 PDT
