size of integration step

From: Jorgen Simonsen (
Date: Tue Oct 13 2009 - 10:44:47 CDT

Hi all,
I am a little puzzled - is it reasonable to do a integration step of 1.5
within using rigid bonds none - I have seen that most people using 2.0 fs
are using the rigid bond all and at 1.0 fs people use rigid bond none. The
frequency of hydrogen is 7-8 fs - so is it possible to use 1.5 without rigid
bond constraints?

Any comments and suggestions appreciated

Thanks in advance


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