Check the line as specified in the warning. And translate the atom
number to its atom type. Check such combination in the [dihedral]
section in the ffXXXXX-nb.itp whether there is such combination. I
suspect that there is some mis-naming by pdb2gmx. Check the total charge
of the molecule as well, it shall be a integer.
Yang Ye
Richa taimni wrote:
Hi,
I am getting these two warnings while doing the
pdb2gmx steps.Please give some suggestions on this
problem.
WARNING 1 [file "AFA.top", line 350]:
No default Ryckaert-Bell. types, using zeroes
WARNING 2 [file "AFA.top", line 455]:
No default Ryckaert-Bell. types, using zeroes
Excluding 3 bonded neighbours for Protein 1
Excluding 2 bonded neighbours for SOL 1480
processing coordinates...
double-checking input for internal consistency....
Regards,
Richa
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