unanswered Separately set the charge states of termini

  • tomma
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2 years 3 months ago #8477 by tomma
Dear Martini Users:

I am wondering whether it is possible to set the charge states of N and C termini in martinize.py separately? Currently, with the "-nt" flag we can set both termini to be neutral or N terminus to have +1 charge and C terminus one to have -1 charge. However, I would like to know whether it is possible to, for example, set one terminus to be charged and another one to be neutral?

Thank you so much for your help!

Yutao Ma

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