Dear Votca users,
I would like to make sure that <type>s in dist.xml and mapping.xml
files when I calculate RDF.
The following is my using csg_stat command. There are total 22500 frames
and I ignore first 10000 frames.
> csg_stat --top topol.tpr --trj traj.trr --cg mapping.xml --optionml
--first-frame 10001
In the mapping.xml, there are three types of beads (A, B, C) defined by
<type>A</type>, <type>B</type>, and <type>C</type>.
In the dist.xml, there are two these options (<type1>A</type1>, and
<type2>A</type2>.
My question is if I would like to calculate a RDF, do these <type1></type1>
<type2></type2> in dist.xml match the types defined in mapping.xml?
Also, what is difference between --begin arg and --first-frame arg options?
It sounds pretty similar.
Thank you very much.
Best regards,
Changwoon Jang,
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