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Dec 27th, 2010

First version of a new perl script named 'DCDstitch'. The aim is to automate the post-processing of multiple DCD files from multiple molecular dynamics restarts. The script will hopefully find the number of frames that must be kept from each DCD, remove waters and ions, and paste all DCD together. There are several assumptions involved in the procedure, so you'd better have a look at the script's source code at /usr/bin/DCDstitch

maintenance/dec_27th_2010.txt · Last modified: 2010/12/27 19:48 (external edit)