AMBER Archive (2008)

Subject: AMBER: refine cyana structures!

From: Hongyan Li (hylichem_at_hkucc.hku.hk)
Date: Tue Apr 22 2008 - 20:33:08 CDT

Dear Amber users,

I have obtained a protein strucutre from Cyana, and would like to do restrined
annealing using amber8. I wonder if anyone has scripts to convert noe distance
file (final.upl) and angle constraint file (final.aco) into amber format and
also the anneal.in script to do energy minimization and water refinement.

Any suggestion and help would be highly appreciated!

Hongyan

Dr. Hongyan Li
Department of Chemistry
The University of Hong Kong
Pokfulam Road
Hong Kong

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