AMBER Archive (2006)

Subject: RE: AMBER: Amber8: how to do Simulated Annealing and Equilibration

From: priya priya (priyaanand_27_at_yahoo.co.in)
Date: Mon Oct 16 2006 - 23:42:15 CDT

Dear Sir
 
 will u please tell me the link to do simulated annealing in amber8..........
 thanks n advance
 
 Regards
 Priya

Ross Walker <ross_at_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
 /\
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|\oss Walker

| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross_at_rosswalker.co.uk |
| http://www.rosswalker.co.uk | PGP Key available on request |

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---------------------------------
   From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf Of priya priya
Sent: Monday, October 16, 2006 01:32
To: amber_at_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

      

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