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Showing 1 to 2 of 2 for “"NAMD 2"”.
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Longer Time Steps for Molecular Dynamics
… in a production molecular dynamics code (NAMD 2). It is shown that the limitations in current MOLLY methods stem from a deficient representation of the eigenspace of the fast part of the forces. An alternative, less rigorous, approach based on ""Langevin stabilization"" is explored. A mild …
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Biomolecular Simulation on Thousands of Processors
Submitted by Meng Tao (mengtao2@illinois.edu) on 2012-10-26T22:39:28Z No. of bitstreams: 1 phillips_James.pdf: 7662495 bytes, checksum: ba41201fd0ec6a43b13f889bf094fcc2 (MD5)