[Camino-users] Trajectory files and scan command

[Damien McHugh]

Thanks for your reply Gavin, but there still seems to be a problem. Running it the way you suggest gives the following error:

WARNING: scan command can only use PGSE sequences.
Exception in thread "main" java.lang.ArrayIndexOutOfBoundsException: 0
	at simulation.measurement.AgnosticScan.main(AgnosticScan.java:427)

Having looked at the AgnosticScan code, it seems that scan parameters need to be specified from the command line, using -Grange, -delrange, -DELrange, is this correct? If so, what is the syntax for these ranges, and does this mean scheme files cannot be used directly on the traj files?

Many thanks!

Damien
________________________________________
From: Gavin Winston [g.winston at ucl.ac.uk]
Sent: 16 October 2012 17:09
To: Damien McHugh
Subject: Re: [Camino-users] Trajectory files and scan command

> |scan -trajfile trajout.traj -schemefile myscheme.scheme > scan
> outpt.bfloat|

Shouldn't it be scan -trajfile trajout.traj -schemefile myscheme.scheme
 > output.bfloat

The second scan should not be there.

Gavin