[gmx-users] Grompp Error No default Ryckaert-Bell. types

Anurag Dobhal anurag.dobhal at nano-medicine.co.in
Fri Jul 10 15:47:11 CEST 2015

Dear gromacs users.

I am simulating a molecule in opls-aa force field.
While running energy minimization I did get the error
"No default Ryckaert-Bell. types".

I checked the line in topol.top and it says that dihedral for ( C-CT-OH-HO)
has No default Ryckaert-Bell. types. but on checking   ffbonded.itp I found
that this dihedral is already  present
as in line 1346 as.
  C      CT     OH     HO      3     -0.44350   3.83255   0.72801  -4.11705
  0.00000   0.00000 ;

anybody have any idea what is the reason for this error ???

*Anurag DobhalJunior Research fellowSupervisor: Dr. Ratnesh D.
JainDepartment of chemical engineeringInstitute of Chemical
Technology400019, +91 8898486877*



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