... That's OK - snapshots are indeed created at the end of each trial, all at the same time. As for the snapshots being very similar - they are only separated
[CNS Yahoo group] Re: Atoms distance in a molecular dynamics
Re: Atoms distance in a molecular dynamics
... model_anneal_3HOS_X.pdb where X=1-10. Check your output folder. This is a concern though %CNSsolve> error encountered: File model_anneal_3HOS_1_traj.crd
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nmrlearner
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05-17-2012 11:37 PM
[CNS Yahoo group] Re: Atoms distance in a molecular dynamics
Re: Atoms distance in a molecular dynamics
Hello, I'm sorry I reply late. I think I can exploit my results by calculating the FRET Efficiency this way:
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nmrlearner
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05-17-2012 11:37 PM
[CNS Yahoo group] Re: Atoms distance in a molecular dynamics
Re: Atoms distance in a molecular dynamics
... if you didn't touch traj_freq, it should... post the log-file, there might be a clue there. -- Oh, suddenly throwing a giraffe into a volcano to make water
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nmrlearner
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05-16-2012 08:34 PM
[CNS Yahoo group] Atoms distance in a molecular dynamics
Atoms distance in a molecular dynamics
Hello, I'm new on CNS. I would like to generate N structures during a molecular dynamics. I employed model_anneal.inp downloaded on
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Impact of (15)N R(2)/R(1) Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints.
Impact of (15)N R(2)/R(1) Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints.
Impact of (15)N R(2)/R(1) Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints.
J Am Chem Soc. 2011 Apr 4;
Authors: Ryabov Y, Schwieters CD, Clore GM
(15)N R(2)/R(1) relaxation data contain information on molecular shape and size as well as on bond vector orientations relative to...
nmrlearner
Journal club
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04-06-2011 10:54 AM
Impact of 15N R2/R1 Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints
Impact of 15N R2/R1 Relaxation Restraints on Molecular Size, Shape, and Bond Vector Orientation for NMR Protein Structure Determination with Sparse Distance Restraints
Yaroslav Ryabov, Charles D. Schwieters and G. Marius Clore
http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja201020c/aop/images/medium/ja-2011-01020c_0002.gif
Journal of the American Chemical Society
DOI: 10.1021/ja201020c
http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA
http://feeds.feedburner.com/~r/acs/jacsat/~4/3J1IyCLkQMQ
nmrlearner
Journal club
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04-05-2011 10:37 AM
Alanine Methyl Groups as NMR Probes of Molecular Structure and Dynamics in High-Molecular-Weight Proteins
Alanine Methyl Groups as NMR Probes of Molecular Structure and Dynamics in High-Molecular-Weight Proteins
Raquel Godoy-Ruiz, Chenyun Guo and Vitali Tugarinov
http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja1083656/aop/images/medium/ja-2010-083656_0009.gif
Journal of the American Chemical Society
DOI: 10.1021/ja1083656
http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA
http://feeds.feedburner.com/~r/acs/jacsat/~4/hxZ4cabF688