Amber
Hello, I try to get the resp charges using Amber11 and Gaussian09 rev B.02.
But I cannot get the output file when I ran espgen -i g09.out -o resp.esp
And no error message.
I read all of the question in the AmberHomepage, but i cannot solve this problem.
#T RHF/6-31G* SCF=tight Test Pop=MK iop(6/33=2) iop(6/42=10) iop(6/50=1) opt
This is my Gauss Input.
Gaussian output file is no problem because I can get the .respin1 .respin2 file.
I guess this is caused by program version.
I want to know the solution of this problem.
Best Regard
This is my gaussian input file.
#T HF/6-31G* SCF=tight Test Pop=MK iop(6/33=2) iop(6/42=10) iop(6/50=1) opt
Formaldehyde Single Point
0 1
C 0.0 0.0 0.0
O 0.0 1.22 0.0
H 0.94 -0.54 0.0
H -0.94 -0.54 0.0
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Received on Sun Jan 26 2014 - 01:00:08 PST
