[gmx-users] Protonate on N- and C- termini

Erik Lindahl lindahl at sbc.su.se
Thu Mar 10 14:37:10 CET 2005


Check the documentation of pdb2gmx (used to create your topology), 
specifically the -ter option.



On Mar 10, 2005, at 2:34 PM, Binbin Liu wrote:

> OK, let me make it clear. I want to neutralise the N- C- termini. How 
> can I do
> it using GROMACS?
> Binbin
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