Dear AMBER users,
I am using Antechamber to generate a prep file from a gaussian output file.
Problem is that Antechamber writes a prep file with atom sequences that
are different from those in the gaussian output file.
Here is my command line input:
>antechamber -i ***.log -fi gout -o ***.prep -fo prepi -at amber
I also used pdb files, gzmat formats as input. But the same re-ordering of
atoms always occurs.
Is there a way to make antechamber not change the atom ordering when it
outputs the prepfile?
Any suggestions would be appreciated.
Austin-
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Received on Thu Apr 14 2005 - 13:53:00 PDT
