[gmx-users] adding NH2 cap to C terminal

Mark Abraham Mark.Abraham at anu.edu.au
Mon Nov 10 08:13:49 CET 2008

sarbani chattopadhyay wrote:
>   Hi,
>     I want to add -NH2 to the c terminal end of my peptide. If I modify 
> the " C-terminal
> databse"-> "-c.tdb" , will it be possible to add -NH2 to the "CO" end of 
> the last residue at the
> C terminal end.

For some forcefields, yes. You need the forcefield to have parameters 
for (C-terminal) -C(O)-NH2. Not all of them do. Probably the ones that 
have it parameterized already have the terminus topologies in the database.


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