[gmx-users] N-terminus type PRO-NH

Nguyen Hoang Phuong phuong at theochem.uni-frankfurt.de
Sun Apr 2 01:01:15 CEST 2006

> Is pdb2gmx recognising the N-terminal residue as PRO?
I think so. However in my case pdb2gmx does not read the entry PRO-NH in
the ffG43a1-n.tdb file. Only NH3+,NH2, or None are read. I cheat
pdb2gmx by replacing the header [ PRO-NH ] by [ NH2 ] and it works
for me now.


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