[gmx-users] Use dihedraltype 4 to allow several multiplicity terms

[A. mohammadzadeh]

Hello. i have a problem  could you help me to
solve it pleas?


i used charmm server to get the parameters for my new membrane with dppc
and cholestrol -

i converted it into the gromacs topology.

When I try grompp:


WARNING 23 [file charmm36.itp, line 41]:
Overriding atomtype SOD


WARNING 24 [file charmm36.itp, line 201]:
Overriding non-bonded parameters,

old: 0.290767 0.0906104 0.290767 0.0906104 new
CTL1 SOD 1 2.94954293108e-01 9.06104103511e-02

WARNING 25 [file charmm36.itp, line 222]:
Overriding non-bonded parameters,

old: 0.290767 0.0906104 0.290767 0.0906104 new
CTL2 SOD 1 2.94954293108e-01 9.06104103511e-02

WARNING 26 [file charmm36.itp, line 242]:
Overriding non-bonded parameters,

old: 0.290767 0.0906104 0.290767 0.0906104 new
CTL3 SOD 1 2.94954293108e-01 9.06104103511e-02

WARNING 27 [file charmm36.itp, line 261]:
Overriding non-bonded parameters,

old: 0.290767 0.0906104 0.290767 0.0906104 new
CTL5 SOD 1 2.94954293108e-01 9.06104103511e-02

WARNING 28 [file charmm36.itp, line 498]:
Overriding Proper Dih. parameters.
Use dihedraltype 4 to allow several multiplicity terms.

old: 180 4.184 1 180 4.184 1
new: CEL1 CEL1 CTL2 CEL1 9 0.000000e+00 4.016640e-01 4