Re: AMBER: united atom weiner force field

From: David A. Case <case.scripps.edu>
Date: Mon, 18 Aug 2003 08:21:03 -0700

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 

-- 
==================================================================
David A. Case                     |  e-mail:      case.scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  home page:                   
La Jolla CA 92037  USA            |    http://www.scripps.edu/case
==================================================================
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Mon Aug 18 2003 - 16:53:01 PDT
Custom Search