[AMBER] kindly guide me

From: ALAMGIR KHAN <alamgir_khan86.yahoo.com>
Date: Wed, 29 Jan 2020 05:00:54 +0000 (UTC)

Hello everyone.
I am using antechamber to prepare prepin file from (gaussian) log file using the following command,
antechamber -i test.log -fi gout -o 13l.prepin -fo perpi -c resp -s 2 -rn 13l -at amber -nc 0
but i face these errors
Welcome to antechamber 17.3: molecular input file processor.

acdoctor mode is on: check and diagnosis problems in the input file.
-- Check Format for Gaussian Output File --
Warning: No ESP information in the Gaussian output file.
         This file cannot be used to generate RESP charges with Gaussian via
         e.g. "#HF/6-31G* SCF=tight Pop=MK iop(6/33=2) iop(6/42=6) opt"
   Status: pass
/usr/local/amber18/bin/to_be_dispatched/antechamber: Fatal Error!
No atom found; the gaussian output file may not be complete.

Thank you in advance.
AMBER mailing list
Received on Tue Jan 28 2020 - 21:30:02 PST
Custom Search