AMBER Archive (2006)

Subject: AMBER: Performing Simulated Annealing?

From: alfredoq_at_fcq.unc.edu.ar
Date: Fri Apr 28 2006 - 11:58:31 CDT

Dear Amber community:

I am trying to perform a conformational search using a molecular dinamic
simulted annealing aproach. I have created the input file for sander in order
to perform 1 cycle of the whole process. I was wondering if there is any
keyword to repeat the warming-cooling cycle n times. After this, I guess I am
supposed to perform a manual cluster analysis over the whole trajectory to
extract the conformation ensembles?
Thanks in advance for the help
Best wishes

Alfredo Quevedo

----------------------------------------------------------------
This message was sent using IMP, the Internet Messaging Program.

----- Terminar mensaje reenviado -----

----------------------------------------------------------------
This message was sent using IMP, the Internet Messaging Program.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu