Dear gromacs users,
I want to use Martini force field for my simulation. The simulation is
supposed to be performed at acidic environment (pH2.6). In this
environment His is protonated. I want to add protonate Hisidine in itp
file. Where exactly should I put the charge on S2c or on S3c? Maybe I
should put 0.5 on each CG bead?
Thank you in advance.
Regina
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