Dear sir
System does not have metal ion what i can do now. Here i am attaching the
system.
Traceback (most recent call last):
File "/home/rehan/Downloads/amber16/bin/MCPB.py", line 524, in <module>
raise pymsmtError('ion_ids needs to be provided.')
pymsmt.exp.pymsmtError: ion_ids needs to be provided.
On Sat, Sep 16, 2017 at 3:46 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
> 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 Sun Sep 17 2017 - 00:00:02 PDT
