AMBER Archive (2009)

Subject: [AMBER] RESP fit

From: E.M. (pckboy_at_gmail.com)
Date: Fri Jul 17 2009 - 18:00:08 CDT

Hello,

I have to lil questions about the RESP program.
1) What is the format of the output file?. I see 6 columns, with a four
element header.

 1100 6 118228.4448414209 1755.4981339737
  -4.50248 -0.32283 1.33104 0.50891 0.77719 -0.26828
  -5.49148 -0.82539 -0.48761 8.06475 8.08840 -0.02365
  ...
  ...
 etc.

About the ESP points my question is, what kind of software can be used
to plot the 3D representation of this?.
Any suggestions?. I want to jump to matlab to do it, but perhaps there
is a visualization program able to read
this kind of output?.

Cheers

Eduardo Mendez

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