On Mon, 2014-01-20 at 11:13 +0000, Zhuang, Yu wrote:
> Dear Amber users,
> I have one question regarding output of radius of gyration from Amber 12. I have finished my simulation and results in two outputs, e.g. file.prmtop and file.mdcrd. however when I want to use 'ptraj' and 'trajin' to export radius of gyration, it always results in to a file with empty content. I used the command like this: radgyr out protein.dat mass
>
> Do anyone meet same problem before? how can I solve it?
Does your trajectory have any frames in it? Was there a problem reading
the trajectory? I suggest providing your *exact* input file
(copy-and-paste) as well as the exact output you get from ptraj (have
you tried cpptraj instead?)
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Jan 20 2014 - 05:00:02 PST
