AMBER Archive (2008)

Subject: AMBER: Is it possible to recover the umbrella file in ABMD simulation after hard disk failure?

From: Ye Mei (ymei_at_itcc.nju.edu.cn)
Date: Sat Oct 25 2008 - 07:32:25 CDT

Dear amber users£¬

I was running an ABMD simulation on our supercomputer. Another user on this machine made a mistake and wrote
huge data to the hard disk until it was full. My job died with the umbrella file lost. Luckily, the trajectory is still
there. Is it possible to recover the umbrella file from the trajectory? This simulation had been run for two weeks.
I donot want such a long time to be wasted.
¡¡¡¡¡¡¡¡¡¡¡¡
                                 
Best regards,

Ye Mei
ymei_at_itcc.nju.edu.cn
Institute of Theoretical and Computational Chemistry
Key Laboratory of Mesoscopic Chemistry of MOE
School of Chemistry and Chemical Engineering
Nanjing University
Nanjing 210093
P.R.China
2008-10-25

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