Hi,
I am trying to use antechamber to generate RESP charges for my un-natural
peptide. I use Gaussian to create a .log file after some energy optimization
(I use an initial pdb file for the peptide). On doing this:
$ACHOME/antechamber -i peptide.log -fi gout -o peptide.prepi -fo prepi -c
resp -s 2
it runs for 5 steps, before stopping with this error:
Unit 10 Error on OPEN: ANTECHAMBER.ESP
Error: cannot run "resp -O -i ANTECHAMBER_RESP1.IN -o ANTECHAMBER_RESP1.OUT
-e ANTECHAMBER.ESP -t qout" in resp() of charge.c properly, exit
The files in capitals were however created in the previous steps. Could you
please point out what's needed to be here?
Thanks and regards,
Neelanjana
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Received on Sun Jul 08 2007 - 06:07:54 PDT
