[AMBER] saving output of Gaussian accelerated MD

From: Qinghua Liao <scorpio.liao.gmail.com>
Date: Tue, 23 Apr 2019 16:41:28 +0200


I am running Gaussian accelerated MD simulations with Amber, I checked
the manual and some tutorials,
I found that the output frequency is 50 steps, I am wondering this is
necessary for as many data points as
possible for the reweighing process, or it is also reasonable to write
out less frequently (like every 2500 or 5000 steps)?

With an output frequency of 50 steps, it still writes too much data for
my systems, even though water and ions are not saved.

Could someone comment on it? Thanks a lot!

All the best,

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Received on Tue Apr 23 2019 - 08:00:02 PDT
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