AMBER Archive (2003)

Subject: Re: AMBER: order parameter

From: David A. Case (case_at_scripps.edu)
Date: Fri Dec 12 2003 - 15:29:26 CST

On Fri, Dec 12, 2003, myang wrote:
>
> Can anyone recommend a program which can calculate the oder parameters for a
> MD trajecotry? Or a related reference tells how to calculate it. Thanks a
> lot! Hope everyone have a good weekend.

See the "correlation" command in ptraj, p. 200 of the Users' Manual.

..regards...dac 

-- 

==================================================================
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
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_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu