[gmx-users] part number in extending simulation
jiangsl at phys.sinica.edu.tw
Sun Aug 28 11:55:21 CEST 2011
Thank you for reply.
I got it.
But as you see I also indicate the new names for output files.
Do I get correct result in this kind of situation?
Or I need to rerun it with "-noappend"
>check the standard options of mdrun with the help flag -h of version
>4.5.4 and below. You will realize, that the standard append behaviour
>changed from "no" to "yes". Hence if you start from a checkpoint and
>files are already present in the working directory the integration
>results will be appended.
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