[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.
Mark
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