[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

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