order trajectory .dcd files

[Nancy Deng]

I have use list.files to read in multiple .dcd files as suggested. Thanks!

However, the files are in alphabetical order, instead of the time order as they were generated. Examples below:

a100ns.dcd, a150ns.dcd, a50ns,dcd etc...

How to reorder the read in files, in this case it should be: a50ns.dcd, a100ns.dcd, a150ns.dcd, so that the afterwards analysis will not messup the time and the frame.

Any input is appreciate. thanks!!

Nancy

[Xinqiu Yao]

Hi,

Instead of listing files under a directory, you can also manually make a vector of file names, which may be easier to generate in the order you want. For example, files <- paste('a', seq(50, 150, 50), 'ns.dcd', sep=''). This will generate a vector of 'a50ns.dcd', 'a100ns.dcd' and 'a150ns.dcd'. You can generate a longer vector using similar method. Check out paste() and seq() in R, which can help you a lot in daily scripting. Hope it helps.

[Nancy Deng]

Thanks a lot!!

Will try,

A beginner to R as well ☺

Nancy