[gmx-users] Protein preparation
profiles.ke at gmail.com
Sun Mar 26 15:44:29 CEST 2017
I'm new to Gromacs.
I have a question regarding protein preparation for MD simulation.
I ran a 50 ns MD simulation but later found out that the protein has a
I found that there is a Mg2+ Ion in the protein crystal structure. Should I
remove this Mg2+ ion from protein before addition of ions to the protein ??
Following is the protein I used.
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