Dear Amber Users!
I am examining the cpptraj module of Amber-tools for some basic
analysis. Assuming that I've already learn how to compute basic
structural-based properties like RMSD, I am looking for an example how
I could calculate more general properties like temperature, total
energy etc showed in this tutorial:
http://ambermd.org/tutorials/advanced/tutorial3/section2.htm
For instance may I modify my cpptraj script that does a reimagining of
my system to additionally calculate these things ? I would be
grateful for some examples
Cheers,
Enrico
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Received on Tue Aug 09 2022 - 02:30:02 PDT
