AMBER Archive (2003)

Subject: question about antechamber

From: Lishan Yao (yaolisha_at_pilot.msu.edu)
Date: Thu Feb 13 2003 - 16:55:39 CST

Hi:
   I try to creat a prep file for my ligand. First I optimize it by using
gaussian program (6-31g/HF). Then I use HF/6-31g* to calculate charges.
This is input file for charge fit I used.
$RunGauss

%chk=product-h-free
%nproc=4
#HF/6-31G* SCF=tight geom=checkpoint Test Pop=MK iop(6/33=2) iop(6/42=6)

Single point cartessian input

0 1

Then everything works fine. Then I use antechamber to creat prep file.
This is what I did:

yaolisha_at_hbar [44] antechamber -i free-631g+.lis -fi gout -o 1.prep -fo prepi
-rn hhp -c resp

Error happens
yaolisha_at_hbar [45]

Then I check prep file. It looks fine. I have everything there. I don't know
what happened?

Sincerely
Lishan Yao