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#
# CHARMM atom types
# initial list taken from p. 210 of:
#
# Brooks et al.: CHARMM: A program for Macromolecular Energy,
# Minimization, and Dynamics Calculation, . J Comput Chem, 2(4), 187-217 (1983)
#
H Hydrogen which can hydrogen bond bound to neutral atom
HC Hydrogen which can hydrogen bond bound to charged atom
HA Aliphatic hydrogen
CT Aliphatic carbon
C Carbonyl carbon
CH1E An extended atom carbon with one hydrogen
CH2E An extended atom carbon with two hydrogens
CH3E An extended atom carbon with three hydrogens
CR1E An extended atom carbon in an aromatic ring with one hydrogen
N A peptide hydrogen with no hydrogens attached
NR A nitrogen in an aromatic ring with no hydrogens
NP A pyrole nitrogen
NH1E An extended atom peptide nitrogen with one hydrogen
NH2E An extended atom peptide nitrogen with two hydrogens
NH3E An extended atom peptide nitrogen with three hydrogens
NC2E An extended atin charged guanidinium nitrogen with two hydrogens
NH1 A peptide nitrogen bound to one hydrogen
NH2 A peptide nitrogen bound to two hydrogens
NH3 A nitrogen bound to three hydrogens
NC2 A charged guanidinium nitrogen bound to hydrogens
O Carbonyl oxgen
OC Carboxy oxygen
OH1E Extended atom hydroxy oxygen
OH2E Extended atom water
OH1 Hydroxy oxygen
OH2 Water oxygen
S Sulphur
SH1E Extended atom sulphur with one hydrogen
FE Iron (as in heme)
OS
CR
CM
OM
LP
HT
OT
CA
CE1
CE2
CT1
CT2
CT3
CP1
CC
CD
CP2
CP3
CPB
CPA
CPH1
CPM
CPT
CS
CY
HE1
HE2
HB
HP
HR1
HR2
HR3
CPH2
NPH
NR1
NR2
NR3
NY
OB
HS
SM
SS
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