Dear Amber users,
I have generated a Amber compatible topology file for a system that
contains protein and a bound-ligand. I wonder how to extract different
information from the topology file to reconfirm the system parameters. For
e.g., the ligand I am using posses total charge of +1e and, though I have
used correct prep and frcmod file for generating .top file, I would like to
reconfirm the total charge of the ligand in the generated .top file.
Any help would be highly appreciated.
Thanks in advance
Anu
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Received on Tue May 08 2018 - 23:00:02 PDT
