[AMBER] cpptraj: arithmetic on data sets?

From: Brian Radak <radak004.umn.edu>
Date: Mon, 30 Jun 2014 10:24:47 -0400

If this feature exists it is probably in the manual, but I'm having a hard
time finding it.

Can new data sets be generated via arithmetic on existing data sets? In my
case I'd like to analyze a set of mdrcd files and calculate 2 distances as
well as a generalized distance coordinate (*e.g.* for distances d1 and d2,
d1-d2). The desired output would look like what the nmropt DUMPAVE option
gives you:

# time (d1-d2) d1 d2
1 -1.0 2.0 3.0
...

Is this possible?

Thanks,
Brian

-- 
================================ Current Address =======================
 Brian Radak                                            :     BioMaPS
Institute for Quantitative Biology
 PhD candidate - York Research Group       :     Rutgers, The State
University of New Jersey
 University of Minnesota - Twin Cities          :     Center for
Integrative Proteomics Room 308
 Graduate Program in Chemical Physics     :     174 Frelinghuysen Road,
 Department of Chemistry                          :     Piscataway, NJ
08854-8066
 radak004.umn.edu                                 :
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Received on Mon Jun 30 2014 - 07:30:02 PDT