AMBER Archive (2009)

Subject: [AMBER] gaussain output

• Previous message: Ashish Runthala: "Re: [AMBER] MM-GBSA nmode error for explicit solvent system only but not for implicit solvent system. Why?"
• Next in thread: FyD: "Re: [AMBER] gaussain output"
• Reply: FyD: "Re: [AMBER] gaussain output"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

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.

Subarna

      Love Cricket? Check out live scores, photos, video highlights and more. Click here http://cricket.yahoo.com
_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

• Previous message: Ashish Runthala: "Re: [AMBER] MM-GBSA nmode error for explicit solvent system only but not for implicit solvent system. Why?"
• Next in thread: FyD: "Re: [AMBER] gaussain output"
• Reply: FyD: "Re: [AMBER] gaussain output"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]