Which ones are those? Copy/paste, please.
Bill
On 9/16/17 12:30 PM, Rana Rehan Khalid wrote:
> 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 - 13:00:04 PDT
