| Name | Size | Creator | Creation Date | Labels | Comment | ||
|---|---|---|---|---|---|---|---|
| File grid_and_dock.sh | 0.8 kB | Nicholas J Musolino | Apr 19, 2010 18:07 |
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BASH script for starting AutoGrid and AutoDock within the queue system. | ||
| Version 1 (current) | 0.8 kB | Nicholas J Musolino | Apr 19, 2010 18:07 | BASH script for starting AutoGrid and AutoDock within the queue system. | |||
| File generate_many_child_scripts.sh | 2 kB | Nicholas J Musolino | Apr 17, 2010 22:51 |
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Bash script for writing small bash scripts, and then submitting them through qsub. | ||
| Version 1 (current) | 2 kB | Nicholas J Musolino | Apr 17, 2010 22:51 | Bash script for writing small bash scripts, and then submitting them through qsub. | |||
| File movetoscratch_and_run.sh | 2 kB | Nicholas J Musolino | Apr 17, 2010 22:43 |
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Bash script for copying material to scratch directory and executing a job. | ||
| Version 1 (current) | 2 kB | Nicholas J Musolino | Apr 17, 2010 22:43 | Bash script for copying material to scratch directory and executing a job. | |||
| File qnodes_status | 0.8 kB | Nicholas J Musolino | Apr 17, 2010 16:53 |
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BASH script to summarize the output from the qnodes command. | ||
| Version 1 (current) | 0.8 kB | Nicholas J Musolino | Apr 17, 2010 16:53 | BASH script to summarize the output from the qnodes command. | |||
| File sequential-jobs-separately-submitted.sh | 2 kB | Nicholas J Musolino | Apr 17, 2010 15:30 |
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Model shell script for executing several simulations in series using PBS scheduler. | ||
| Version 1 (current) | 2 kB | Nicholas J Musolino | Apr 17, 2010 15:30 | Model shell script for executing several simulations in series using PBS scheduler. | |||
| File multiple_images.sh | 0.8 kB | Nicholas J Musolino | Apr 17, 2010 08:31 |
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Model shell script for executing several small simulations using PBS scheduler. | ||
| Version 1 (current) | 0.8 kB | Nicholas J Musolino | Apr 17, 2010 08:31 | Model shell script for executing several small simulations using PBS scheduler. | |||
| File apoa.sh | 0.3 kB | Nicholas J Musolino | Apr 17, 2010 08:30 |
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Model shell script for executing ApoA benchmark sim. using PBS scheduler. | ||
| Version 1 (current) | 0.3 kB | Nicholas J Musolino | Apr 17, 2010 08:30 | Model shell script for executing ApoA benchmark sim. using PBS scheduler. | |||
| File basic_analysis.sh | 8 kB | Nicholas J Musolino | Apr 15, 2010 19:29 |
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Bash script for analyzing NAMD trajectories | ||
| Version 1 (current) | 8 kB | Nicholas J Musolino | Apr 15, 2010 19:29 | Bash script for analyzing NAMD trajectories | |||
| File runavg.awk | 0.5 kB | Nicholas J Musolino | Apr 15, 2010 18:52 |
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AWK script for calculating running average of energy from NAMD output. | ||
| Version 1 (current) | 0.5 kB | Nicholas J Musolino | Apr 15, 2010 18:52 | AWK script for calculating running average of energy from NAMD output. | |||
| ZIP Archive scripts.tar.gz | 109 kB | Unknown User (diwakar@mit.edu) | Apr 05, 2010 18:44 |
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Sample scripts for basic tasks in CHARMM (Courtesy Prof. Lennart Nilsson, Karolinska Institutet) | ||
| Version 1 (current) | 109 kB | Unknown User (diwakar@mit.edu) | Apr 05, 2010 18:44 | Sample scripts for basic tasks in CHARMM (Courtesy Prof. Lennart Nilsson, Karolinska Institutet) | |||
| File denprofile_analysis.tcl | 5 kB | Nicholas J Musolino | Apr 05, 2010 18:24 |
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TCL script for VMD to obtain density profiles from MD simulations. | ||
| Version 1 (current) | 5 kB | Nicholas J Musolino | Apr 05, 2010 18:24 | TCL script for VMD to obtain density profiles from MD simulations. | |||
| File bootstrap_mean.awk | 2 kB | Nicholas J Musolino | Apr 01, 2010 18:52 |
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| Version 1 (current) | 2 kB | Nicholas J Musolino | Apr 01, 2010 18:52 | ||||
| File histogram_dec.awk | 2 kB | Nicholas J Musolino | Apr 01, 2010 18:51 |
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AWK script for creating histogram. | ||
| Version 1 (current) | 2 kB | Nicholas J Musolino | Apr 01, 2010 18:51 | AWK script for creating histogram. | |||
| File histogram_discrete.awk | 0.8 kB | Nicholas J Musolino | Apr 01, 2010 18:51 |
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AWK script for creating histogram of discrete values. | ||
| Version 1 (current) | 0.8 kB | Nicholas J Musolino | Apr 01, 2010 18:51 | AWK script for creating histogram of discrete values. | |||
| File autocorr.awk | 1.0 kB | Nicholas J Musolino | Apr 01, 2010 18:46 |
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AWK script for calculating autocorrelation of timeseries. | ||
| Version 1 (current) | 1.0 kB | Nicholas J Musolino | Apr 01, 2010 18:46 | AWK script for calculating autocorrelation of timeseries. |