[AMBER] antechamber_error

From: Lara rajam <lara.4884.gmail.com>
Date: Thu, 3 Apr 2014 11:38:19 -0400

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
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