it causing problem if i keep ion related flags blank
On Sat, Sep 16, 2017 at 3:19 PM, Rana Rehan Khalid <rrkhalid.umich.edu>
wrote:
> 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 - 13:00:03 PDT
