AMBER Archive (2005)Subject: AMBER: A problem about Gaussian
From: Yanze Zhang (yz.zhang_at_gmail.com)
Date: Thu Mar 03 2005  16:38:59 CST
Hi, amber users
I ran antechamber to get the gaussian input file. The command line was
like this:
#HF/631G* SCF=tight Test Pop=MK iop(6/33=2) iop(6/42=6) opt. But the
molecule systmem I am studying is very huge. The polypeptide has 35
residues and there are 253 atoms. I am not familiar with Gaussian.
Some people told me the calculation I ran will take a year. But in
fact it failed after one hour :( My question is can I use other
methods to do quantum calculation to generate resp charges?
Any suggestions will be greatly appreciated.
Regards,
Yanze Zhang

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