[gmx-users] adding NH2 cap to C terminal
Mark.Abraham at anu.edu.au
Mon Nov 10 08:13:49 CET 2008
sarbani chattopadhyay wrote:
> 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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