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
Received on Wed May 31 2017 - 05:30:02 PDT
