Hi list.
I am trying to make a modified AA which has no NH2 end.
COOH end atom names are:
C1, O3, H12, O,
mc file is :
-----------------------
TAIL_NAME C1
OMIT_NAME O3
OMIT_NAME H12
POST_TAIL_TYPE N
CHARGE -1.0
--------------------------
The residue is made using GAFF FF. I have added missing parameters to
connect GAFF residue to AMBER protein and tleap running without errors.
But when I load rst file into pytraj/nglview. there is not bond between N
atom of protein and C1 atom of my residue.
What am I missing there?
Thank you.
Petro.
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Received on Thu Mar 12 2020 - 04:00:03 PDT
