On 8/20/17 12:17 AM, Мижээ Батсайхан wrote:
Dear gmx users,
I am sorry for asking about charmm-gui .
I would like to use HSE protonation state of HIS, and I am using Charmm-gui
membrane builder. But, Charmm-gui only produces HSD protonation state in my
initial system. How can I use HSE state?
I guess there is a protonation option in charmm-gui. IF not you can do it
manually
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Dear gmx users,
I am sorry for asking about charmm-gui .
I would like to use HSE protonation state of HIS, and I am using Charmm-gui
membrane builder. But, Charmm-gui only produces HSD protonation state in my
initial system. How can I use HSE state?
Best regards,
Mijee
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