On Mon, Aug 19, 2013, Rejwan wrote:
>
> An AMBER minimization job was aborted due to overflow of non-bonded
> list. My system is of 52 K atoms size. How I can perform minimization
> in such situation ? Thank you.
>
>
> Exit code -5 signaled from c321-214
> * NB pairs 522 1219601 exceeds capacity ( 1219712) 23
> SIZE OF NONBOND LIST = 1219712
Can you post your min_lipid.in file? Also, try a short serial (non-parallel)
run to see if the problem is specific to the parallel code. Trying pmemd
instead of sander is also worth trying, since the nonbond lists are handled
in a different way there.
....dac
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Received on Mon Aug 19 2013 - 13:00:25 PDT
