AMBER Archive (2007)

Subject: Re: AMBER: pair distribution function

From: Thomas Cheatham III (tec3_at_utah.edu)
Date: Thu Jun 14 2007 - 18:41:51 CDT

> i need help on calculating rdf for my system using PTRAJ
...
> radial rdf.out 0.05 10.0 :WAT_at_O :7_at_CA
>
> if i used 0.05 as the width of the bin, the program
> crashed (core dumped)

I am not able to reproduce this with my amber9 version of ptraj or with
the older ptraj available on the WWW; what version are you using? Where
is it core dumping (before or after reading in all the frames)?

-- tec3
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu