[gmx-users] neutral LYS (NH2)
oliver at biop.ox.ac.uk
Tue Jul 27 21:59:41 CEST 2004
> ma> I need to know since I can make a MD of a neutral LYS (NH2).
Perhaps the '-lys' option to pdb2gmx does what you are looking for (try
'pdb2gmx -h')? It should ask you interactively if you want the neutral
state when you create a topology from your protein.
Oliver Beckstein * oliver at biop.ox.ac.uk
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