From: Oscar Bastidas (obastida_at_umn.edu)
Date: Mon Mar 09 2020 - 15:00:52 CDT
What is the error you are getting?
I had some initial hiccups learning how to re-start my simulations
correctly. Perhaps it's what I encountered.
On Mon, Mar 9, 2020, 1:01 PM Matthew Guberman-Pfeffer <
> 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
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