Dallas B. Warren wrote:
When using checkpoint files to continue a run, mdrun overrides the output file names
specified by putting ".partXXXX" before the file extension.
I don't want it to do that, since I have already told it how I want the output
files to be named.
Is it possible to stop that happening?
Try using -append.
-Justin
Catch ya,
Dr Dallas Warren
Pharmacy and Pharmaceutical Sciences
Monash University
A polar bear is a Cartesian bear that has undergone a polar transformation
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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