AMBER Archive (2009)

Subject: [AMBER] How to restart the umbrella sampling jobs?

From: Catein Catherine (
Date: Mon Mar 02 2009 - 23:52:16 CST

Dear All,


I would like to restart the following calculations, while it clash accidentially.


$AMBERHOME/exe/sander -0 -i -o x_md1.out -c x_md0.restrt -p x.prmtop -r x_md1.restrt -x x_md1.mdcrd


In fact the job has already started, and 200 steps out of 500 steps has already finished.


Since I am doing umbrella sampling, the was written as follows:







Can I restart the job so that the results of the missing 300 steps could be continuously written to x_md1.mdcrd and x_md1.result files?


Best regards,



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