AMBER Archive (2009)
Subject: Re: [AMBER] RESP fit
From: FyD (fyd_at_q4md-forcefieldtools.org)
> I have to lil questions about the RESP program.
Please, read the RESP documentation in the Amber8 manual page 233.
> 1) What is the format of the output file?.
Which output one ? output, punch, espot or esout ?
> I see 6 columns, with a four
Above this is the "esout" file...
> About the ESP points my question is, what kind of software can be used
If you want to look MEP points, this is not the "esout" file, but the
> Any suggestions?. I want to jump to matlab to do it, but perhaps there
You could reformat (using a perl sccrip) the espot file (or the