AMBER Archive (2005)

Subject: AMBER: ptraj output missing

From: opitz_at_che.udel.edu
Date: Fri Jul 29 2005 - 10:05:19 CDT

('binary' encoding is not supported, stored as-is) Dear Amber Community,

I am running ptraj to analyze a trajectory. I am using the following input:

trajin test.mdcrd 1500 1800 1
radial test2 0.15 80 :1_at_C1@C2 :MOH
go

The manual says that I would get three output files (*carnal.xmgr,
*volume.xmgr, *standard.xmgr), but only the last two are actually output.
Furthermore, only the *standard.xmgr file has an actual radial
distribution function, while volume is just a straight line (even when
density is set to 1 by me).
I am most concerned about not getting the *carnal.xmgr as I have some
radial distribution functions from carnal that I would like to compare to
these results.
Is there something wrong with my input or is there something else I have
to fix or change?
Thank you in advance for any input you might have.

Best Regards,

Armin

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