Commit 885cdc76 authored by Pierre Poulain's avatar Pierre Poulain
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Add Amber histidines

parent 05241990

params/residue_names.yml

+3 −0
Original line number Diff line number Diff line
@@ -43,6 +43,9 @@ protein: 
- sHe   # Histidine / SIRAH force field

- sY    # Tyrosine / SIRAH force field

- sE    # Glutamic acid / SIRAH force field

- HID   # Histidine / AMBER force field / Histidine with hydrogen on the delta nitrogen

- HIE   # Histidine / AMBER force field / Histidine with hydrogen on the epsilon nitrogen

- HIP   # Histidine / AMBER force field / Histidine with hydrogen on both nitrogens



lipid:

- POPC  # 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine