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.
Mark
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