[AMBER] "go" keyword in ptraj

From: Ben Roberts <roberts.qtp.ufl.edu>
Date: Fri, 30 Apr 2010 09:34:28 -0400


I've just been having a look in the ptraj manual and am left with a few questions.

First, what is the "go" statement? My guess would be that it means "do all the operations since the last go statement". Is that correct? It doesn't seem to be explicitly documented anywhere.

Second, if there is no go statement, what determines when things are done? For example, I have a ptraj script (for want of a better word) that terminates in a trajout, and I would expect that in the absence of a go, the trajout means "write the trajectory file now". Is that correct, or does trajout just set the name of the output file and otherwise do nothing, with an implicit go at the end of the file?

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Received on Fri Apr 30 2010 - 07:00:03 PDT
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