Dear all,
I wonder if there is anywhere I can know the details of .in files used for normal mode analysis.
I understand from the maunal that it needs steepest descent, conjugate gradient,... in ".in" files,
but I am not sure about other parameters set in these different stages, esp. the enregy tolerance to obtain a global minimum structure.And I need all the modes for further analysis, not just only the first 50 modes or so.
Many thanks,
OAY
postdoc scholar
Univ. Nevada, Reno.
89557, Reno, USA
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Received on Tue Jul 29 2014 - 08:00:03 PDT
