[AMBER] NMR distance restrained MD

From: maya nair <mayasnair1.gmail.com>
Date: Thu, 2 Jan 2020 13:26:32 +0530

Dear Prof. David,
I am trying to do the NMR restrained MD for a DNA-ligand complex. I started
with a docked structure. Minimized it and the MD was run . When adding
distance file, the structure is getting very much distorted. I followed the
tutorial A4 in structure refinement in Amber and also followed the MD
tutorial and added dist file into them. But my structure is getting
distorted. What are the precautions to be taken to avoid this/ Can you give
some suggestions to workout this?

Thank you
Maya S Nair
Assistant Professor
Department of Biotechnology
IIT Roorkee
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Received on Thu Jan 02 2020 - 00:00:01 PST
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