[gmx-users] DPPC lipid model in Gromos 53a5
Andreas
a.kukol at herts.ac.uk
Mon Mar 3 10:37:17 CET 2008
Dear all,
In the definition of the DPPC lipid molecule in ffG53a5.rtp I found, that some
dihedral angles are defined twice:
[ dihedrals ]
; ai aj ak al gromos type
C33 N C32 C31 gd_29
N C32 C31 O32 gd_4
N C32 C31 O32 gd_36 <-
C32 C31 O32 P gd_29
C31 O32 P O31 gd_20
C31 O32 P O31 gd_27 <-
O32 P O31 C3 gd_20
O32 P O31 C3 gd_27 <-
Is this a mistake or on purpose ?
Does the second entry overwrite the first entry, i.e. the values of the second
entry are used ?
Many thanks
Andreas
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