AMBER Archive (2006)

Subject: Re: AMBER: Antechamber calculations

From: Vitor Manuel Sousa F?x (vfelix_at_dq.ua.pt)
Date: Fri Mar 10 2006 - 14:03:53 CST

You have to calculate the charges with gaussian first.
Then no more than 1-3 minutes

Em Fri, 10 Mar 2006 14:26:08 -0500 (EST)
  Varsha Goyal <vgusp_at_yahoo.ca> escreveu:
> Hello,
> Can someone give me estimate that how long does it
> take using Antechamber to calculate resp charges for a
> molceule havind around 40 atoms using one CPU wit
> cpu_speed of 3400 Mhz on Linux system.
> Thanks,
> Varsha Gupta
>
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*****************************
Vitor Felix (Associate professor)
Department of Chemistry
University of Aveiro
3810-193 Aveiro
Portugal
Tel: 351 234 370 729
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