Dear amber !
I am trying to derive the parameter for a molecule ,
for that I have carried out the charge calculation using the gaussian03
I used the gaussian options as follows
#t B3LYP/6-31G* opt freq=noraman
when I tried to run the antechamber using the out put file it says the
error
Unit 10 Error on OPEN: ANTECHAMBER.ESP
I used the following commands
($AMBERHOME/exe/antechamber -i monomer_g03.out -fi gout -o sin.prepin -fo
prepi -c resp -s 2 -rn RMO -at amber -nc -1)
I read the earlier posts but I am not clear , suggest me some solutions
is it not possible to generate the library for B3LYP option of the gaussian
one has to use only HF
Thanks in advance
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Received on Thu Apr 03 2014 - 09:00:13 PDT
