Re: [AMBER] gaussain output

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Mon, 17 Aug 2009 10:50:53 +0100

Quoting subarna thakur <thakur.subarna.yahoo.co.in>:

> Hello user
> I am using Gaussain 03 to calculate the electrostatic potential of
> Fe4S4 metal cluster.I want to carry single-point calculation  using
> B3LYP and 6-31G(d) basis set but for the Fe metal I want to use
> 6-31G(2df) basis set.Can anybody suggest the gaussain input where 2
> different basis set are mentioned simultaneously.


Dear Subarna,

You might look at
http://www.gaussian.com/g_tech/g_ur/k_gen.htm

regards, Francois



_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Aug 19 2009 - 23:16:18 PDT
Custom Search