[gmx-users] further discussion on the mdrun -append function

Mark Abraham Mark.Abraham at anu.edu.au
Fri Apr 6 05:56:18 CEST 2012

On 6/04/2012 1:41 PM, Acoot Brett wrote:
> Dear All,
> Frim mdrun -h, I got the following message:
> /-[no]append bool yes Append to previous output files when continuing 
> from checkpoint instead of adding the simulation art number to all 
> file names/
> Thus there is the possibility that the series xvg curves can never 
> starts from 0 ns. Do you agree,

No. If you have your initial trajectory, then I told you about both the 
available workflows yesterday. I'm going to stop repeating myself.

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