Different Velocity or Margin Errors for Restarted Simulation

From: Matthew Guberman-Pfeffer (matthew.guberman-pfeffer_at_yale.edu)
Date: Mon Mar 09 2020 - 09:08:14 CDT

Dear All,

I am a newcomer to MD simulations, and I am encountering errors which I
have not been able to solve by inspecting some previous messages. I would
greatly appreciate your advice to resolve the below situation.

I am trying to simulate a multi-cytochrome protein, namely the diheme with
PDB code 2CZS. Both c-type hemes in the protein are natively bishistidine
coordinated. For these hemes, I am using the force field parameters from *J--00000000000062f3f905a06c8999--

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