Dear VOTCA users,
I am getting used to use VOTCA now. I have a question about tabulated
table generated by csg_boltzmann tool.
In my system, there are two bead types, A and B. Therefore, I generated
A-B-bond.txt using the following command.
csg_boltzmann --top topol.tpr --cg TGDDM.xml --trj traj.trr --first-frame
10001
and then,
tab A-B-bond.txt *:ABbond:*
In my TGDDM.xml file, ABbond defined,
<cg_bonded>
<bond>
<name>ABbond</name>
<beads>
A1 B1
A2 B1
B2 A3
B2 A4
</beads>
</bond>
</cg_bonded>
Therefor, I got all average ABbond tabulated file called here A-B-bond.txt.
There are three columns in this file. I am not sure what those columns are
but ...
Is this file related to GROMACS input file?
Where am I informed of this information for this tabulated potential *file
format*?
Thank you.
Best regards,
Changwoon Jang,
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