[gmx-users] Generate many random configurations

rankinb rankinb at purdue.edu
Thu Mar 6 14:19:38 CET 2014


I have figured out to accomplish what I want by writing a bash script. 
However, one thing I am still struggling with is determining how to
concatenate the resulting configurations.  There are two possible solutions:
1) concatenate multiple .gro files that have been generated at the end or 2)
concatenate after each iteration.  I like the idea of the second option. 
Does anyone have any suggestions as to how to do this?

Thanks,
Blake

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