[AMBER] MCPB.py hbay.in input (system does not have metal ion)

From: Rana Rehan Khalid <rrkhalid.umich.edu>
Date: Sat, 16 Sep 2017 15:19:05 -0400

Our system consist bay60 compound no metal ion is present

can i use this script by keeping ion_ids and ion mol2 blank for producing
input files for go9.


original_pdb hbay_H_renum.pdb
group_name hbay
cut_off 2.8
ion_ids
software_version g09
ion_mol2files
naa_mol2files 1DX.mol2
frcmod_files 1DX.frcmod


Thanks
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Received on Sat Sep 16 2017 - 12:30:04 PDT