Hi,
Yes on Bill's advice.
Note that in AmberTools 17 antechamber will produce a more detailed
error message.
scott
On Wed, May 31, 2017 at 05:09:59AM -0700, Bill Ross wrote:
> > Cannot open the input file sustiva.out in rgout(), exit
>
> Usually a message like this means the named file is not in the expected
> location (the current directory it seems), or is not readable by the
> process due to permissions.
>
> Bill
>
> On 5/31/17 5:06 AM, Nikolay N. Kuzmich wrote:
> > Dear Amber users,
> >
> > the first attempt to transform optimized structure into mol2 was
> > unsuccesfull.
> > Then I computed ESP and ESP-derived charges (Pop=MK) for the optimized
> > structure.
> >
> > nikolay/amber14# antechamber -i sustiva.out -fi gout -o sustiva_g09.mol2
> > -fo mol2 -c bcc
> > Cannot open the input file sustiva.out in rgout(), exit
> >
> > What did antechamber find wrong this time?
> > How can I transform *.out file into *.mol2 ?
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Received on Wed May 31 2017 - 11:30:02 PDT
