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