[gmx-users] how to set parameter to ionize protein
chiloo77 at yahoo.com
Wed Sep 7 07:57:20 CEST 2005
If i would like to run channel protein in ionized state, how could i set the parameter (which differ from normal protein) of the ionized protein.
One of the protein sequences is as follow:
SER SER ASP PRO LEU VAL VAL ALA ALA SER ILE ILE GLY
ILE LEU HIS LEU ILE LEU TRP ILE LEU ASP ARG LEU
I'd like to ionize the HIS residue, please suggest to where can i set or change its parameters.
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