AMBER Archive (2009)

Subject: [AMBER] Number of Cycles

From: s. Bill (s_bill36_at_yahoo.co.uk)
Date: Tue Dec 15 2009 - 02:31:21 CST

Dear AMBER
How can I complete my total number of cycles?
Say, I had submitted my job for 100000 cycle (nstlim=100000), and due to the wall clock time my job stopped at cycle number 66000,  I asked to write out the output every 5000 cycle (NTPR=5000, NTWX=5000). The problem here is how to complete the remaining steps. I am not sure if the remaining steps are 44000, it may be in between 44000 and 43500, where my output written every 5000.
So, how can I complete my number of cycles? is there any keyword manage this problem?
Thanks in advance
S. Bill

      
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