Hii,
while trying derive the RESP charges through RED-III.5. I am getting the
following error. I have provided the mol_red1.p2n and the mol_red1.log
(gaussian output) properly but still i am getting this error. I have
Amber11 tools installed in my pc. can anyone please help me out to resolve
this issue..Thanks in advance
* Selected optimization output *
GAUSSIAN
Optimization OUTPUT looks nice !
* 1 conformation(s) selected *
WARNING:
A 2nd column of atom names is detected
This 2nd column will be used in the PDB (& Tripos) file(s)
WARNING:
No three atom based re-orientation found in the P2N file
Re-orientation will be done according to the GAUSSIAN Algorithm!
* Selected QM Software *
GAUSSIAN
* Software checking *
Gaussian [ NOT FOUND ]
resp [ NOT FOUND ]
ERROR: Some program(s) cannot be executed
Execution time: 0 h 0 m 0 s
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Received on Thu Aug 30 2012 - 12:00:04 PDT
