[gmx-users] introduce Fluor as a accepotor in calculating hbonds

nazli kashani javid nazlikjavid at gmail.com
Thu Aug 13 10:50:38 CEST 2015


Hi all,

I want to calculate occupancy of hbond for my protein, there are one type
 modified residue in my structure (all hydrogens in leucine amino acid have
substituted by fluor). For calculating occupancy, I used *plot_hbmap.pl
<http://plot_hbmap.pl>*. unfortunately F didn't report as an acceptor or
donor in my output.dat file. so Is there any way to introduce F as an
acceptor?

any help is appreciated.


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