Hello Justin,
I wanted to find the probability of hydrogen bond formed between my peptide and
water molecules over time. So I used your plot_hbmap.pl script.
As mentioned in the script file, my index file contained atom numbers only from
the [hbonds...] section, rest were deleted.
Heres my short output after running the script:
# Donor Acceptor % Exist.
0.004
ALAA N 0.004
ALAA N 0.016
ALAA N 0.012
ALAA N 0.008
ALAA O 0.008
ASNA OD1 0.012
GLYA O 0.008
ALAA O 0.008
Please can I know if this is the expected output from the script ??? if not
please can I know what might be wrong in my input ????
Kind regards,
chetan.
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Prof. Dr. Sebastian M. Schmidt
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