Examples of parallel analysis scripts for Timeline, and other cases ------------------------------------------------------------------- REQUIREMENTS: VMD Version 1.9.2 or greater DESCRIPTION: Parallel analysis examples that work with Timeline: sasa - calculate solvent accessible surface area for all residues crosscorr - calculate MDFF cross-correlation quality-of-fit score for user-defined set of selections The analysis runs produce .tml files suitable for reading by the VMD TimeLine plugin. The .tml files contain per-residue or per-user-selection analysis results for every specified time step. Notes: See each subdirectory README for a sample command to run a parallel analysis. DOWNLOAD THE FILE: parallel-analysis.tar.gz AUTHOR: Barry Isralewitz (barry@ks.uiuc.edu)