[gmx-users] define terminal residue ?

MD refmac5 at gmail.com
Wed Jan 24 20:20:14 CET 2018

Hi Gromacs,

Can anyone give me a quick example to define the C-term residue? I have a
complaint of OXT not defined in rtp and I think I probably should let
gromacs know that is my c-term residue. I searched the tags and found this
one "

*-[no]ter* (no)
Interactive termini selection, instead of charged (default)"

But I couldn't find a real example to use this tag. My c-term SER358 is the
one that causing this issue. Any help will be appreciated.



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