http://www.ks.uiuc.edu/Research/gpu/files/IUVR-VMD-Stone.pdf
VMD Distance Measurements of a Simulation in NAMD
uso se carga el script, con source distance.tcl y luego Se necesita modificación en el uso de las comas/puntos para que la importacion de datos en excel sea mas expedita.Edición pendiente.
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caver 3.0 Tunnels and channels
Tunnels and channels facilitate the transport of small molecules, ions and water solvent in a large variety of proteins. Characteristics of individual transport pathways, including their geometry, physico-chemical properties and dynamics are instrumental for understanding of structure-function relationships of these proteins, for the design of new inhibitors and construction of improved biocatalysts. CAVER is a […]
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Basics of Molecular Dynamics Simulations
Introduce the basics of the molecular dynamics method to simulate the dynamics of the atoms according to time. Relevant research papers can be found at: http://www.lab-paris.com