> 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 ?
>
> Thank you in advance,
> Nick
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed May 31 2017 - 05:30:03 PDT
