Hi, I'm newbie in Gromacs and MD, I'm reading the Tsjerk excellent
tutorial. In the part of Addition of Ions, Tsjerk said that we need to
edit the topology file and the decrease the number of solvent molecules,
and add a line specifying the number Na+ and Cl-. How can I do this? Let
me explain, in the topology file I have:
[ molecules ]
10565 ; Compound #mols
10566 Protein_A 1
10567 SOL 198
10568 SOL 10277
What number I need to change? and what it's the fomat to add the ions Na+
and Cl- to topology file?
Thank you very much.
Andres.
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