Hi all,
During my MD process, I have set a bit small number for ntpr, that is, ntpr = 100, ntwx = 100
besides, my step is low , 0.5fs . So , my output is too large to analyse . In fact , that every 1000 steps the coordinates is written to file "mdcrd" is ok .
So, anyone has suggestions dealing with it except for running the MD process oncemore .
Thanks a lot!
wang
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Received on Wed May 05 2010 - 07:30:06 PDT
