Dear Sir
will u please tell me the link to do simulated annealing in amber8..........
thanks n advance
Regards
Priya
Ross Walker <ross.rosswalker.co.uk> wrote: Nudged Elastic Band support is not available in Amber v8.
However, if you question was "Can I do simulated annealing using Amber 8?". Then the answer is yes.
All the best
Ross
/\
\/
|\oss Walker
| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk | PGP Key available on request |
Note: Electronic Mail is not secure, has no guarantee of delivery, may not be read every day, and should not be used for urgent or sensitive issues.
---------------------------------
From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf Of priya priya
Sent: Monday, October 16, 2006 01:32
To: amber.scripps.edu
Subject: AMBER: Amber8: how to do Simulated Annealing and Equilibration
Dear
In tutorials 7 "The Nudged Elastic Band Approach to Finding the Lowest Energy Pathway Between two States" we can performed Simulated Annealing and Equilibration by using Amber9 version. Please let me know if we can perform this using AMBER8 version.
Regards
Priya
---------------------------------
Find out what India is talking about on - Yahoo! Answers India
Send FREE SMS to your friend's mobile from Yahoo! Messenger Version 8. Get it NOW
---------------------------------
Find out what India is talking about on - Yahoo! Answers India
Send FREE SMS to your friend's mobile from Yahoo! Messenger Version 8. Get it NOW
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Oct 18 2006 - 06:07:22 PDT
