From: Oscar Bastidas (obastida_at_umn.edu)
Date: Mon Mar 09 2020 - 15:00:52 CDT
Hello Matthew,
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.
Oscar
On Mon, Mar 9, 2020, 1:01 PM Matthew Guberman-Pfeffer <
matthew.guberman-pfeffer_at_yale.edu> wrote:
> 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.
>
> *Background*:
> 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
This archive was generated by hypermail 2.1.6 : Fri Dec 31 2021 - 23:17:08 CST