Re: [AMBER] GPU related issues/GTX400 series

From: tanya singh <>
Date: Sat, 20 Nov 2010 18:02:04 +0530

I am trying to do MD simulations using AMBER 10 of the dna-ligand complex,
PDB ID 1d63.

The ligand is berenil.

 During my simulation run the the N-H bond ( of berenil )is bending. Can I
know whether amber has parameter defined for it or not. How can I do a
planarity constraint using amber. I want the C N and the two hydrogens to be

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Received on Sat Nov 20 2010 - 05:00:02 PST
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