AMBER Archive (2007)

Subject: AMBER: pair distribution function

From: khn _ (khnb3_at_yahoo.com)
Date: Thu Jun 14 2007 - 18:20:47 CDT

hi everybody

i need help on calculating rdf for my system using
PTRAJ

here's the command

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)

if i increased the width to 0.2 only it will work, but
it's too large

can somebody help me to solve this problem since i
want to calculate it using smaller bin width

thanks in advance

 
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