Re: [AMBER] Molecular Dynamic production

From: Anogna <>
Date: Tue, 2 Oct 2012 11:21:28 +0530

Dear David,

Sorry for not conveying my problem clearly.

I submitted my complex for production phase. After period of time its
getting stopped abnormally.
As per I know if any error occurs Amber will print a file named "mdout"
which shows all information about the error and "mdinfo" file which shows
the step were the process stopped.

But in my job....its not even generating any error output file. And more
before going to production i faced the same problem while running
equilibration. At first it got stopped abnormally after reaching
30,000/50,000 steps. Later when i ran the equil again using same input
files as used in my first didn't stop in middle of the process.

Can you please tell me what would be the problem.

With Regards,
AMBER mailing list
Received on Mon Oct 01 2012 - 23:00:01 PDT
Custom Search