Acoot Brett wrote:
Dear All,
For low resolution structure PDB, the protonation state of histidine is
niot clear. Then how does pdb2gmx treat the protonation state of HS?
Even for high resolution structure of protein, the protonation state of
HIS is usallly unclear or unspefified.
In t
Dear All,
For low resolution structure PDB, the protonation state of histidine is niot
clear. Then how does pdb2gmx treat the protonation state of HS?
Even for high resolution structure of protein, the protonation state of HIS is
usallly unclear or unspefified.
In the manual og gromacs,
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