Re: AMBER: change force constants

Contemporary messages sorted: [ by date ] [ by thread ] [ by subject ] [ by author ] [ by messages with attachments ]

From: David A. Case <case.scripps.edu>
Date: Mon, 10 Nov 2003 15:56:59 -0800

On Mon, Nov 10, 2003, Obdulia Rabal wrote:
>
> I would like to know if it is possible to change the force constant for a
> GROUP restrained with NTR = 1 during
> a molecular dynamics (in a way similar to using REST for nmr restraints).

No, this is not currently implemented....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 Tue Nov 11 2003 - 00:53:01 PST