AMBER Archive (2009)
Subject: Re: [AMBER] gaussain output
From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Mon Aug 17 2009 - 17:59:39 CDT
> Quoting subarna thakur <thakur.subarna_at_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.
You might look at
& you could modify the source code of R.E.D. to enable this feature...
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