AMBER Archive (2003)

Subject: Re: AMBER: united atom weiner force field

From: David A. Case (case_at_scripps.edu)
Date: Mon Aug 18 2003 - 10:21:03 CDT

On Mon, Aug 18, 2003, sohail qamar wrote:

> hi .....can u plz send the parameter file for UNITED
> atom weiner et al force field. I need those parameters
> to prepare enzyme for use in autodock 3.0. I did
> download a ....tar.gz file from ur web site but it
> only contains the database.

You want the file called parm91X.dat in the parm subdirectory. Use the
"STUB" set of nonbonded parameters, and be sure to set scnb to 8.0.

..good luck...dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
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