[AMBER] Number of Cycles

From: s. Bill <s_bill36.yahoo.co.uk>
Date: Tue, 15 Dec 2009 08:31:21 +0000 (GMT)

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

AMBER mailing list
Received on Tue Dec 15 2009 - 01:00:03 PST
Custom Search