AMBER Archive (2009)
Subject: [AMBER] AMBER 94 Charges for terminal LYN, GLH, ASH and CYM residues and some other unusual cases.
I am writing some code to assign AMBER 94 charges to proteins.
I am using the data in the amino94.in, aminoct94.in and aminont94. files
These files contain 3 sets of charge data for LYS: non-terminal residue
However, only data for the non-terminal residue form of LYN (the
Aplogies if this data exists and I'm not finding it. But if not, what is
Similarly, data for the terminal forms of GLH, ASH and CYM appears to be
Lastly, does charge data exist for the neutral end group forms of the