I have the ligand perimeter in my working folder and file but I am receiving an error in gromacs that says "Fatal error: Topology include file "ligand.prm" not found", how can I fix this, please. Attached is my topol.top file. I am new to this.
what is the difference between "ligand.prm" and "ligand.itp"?
I guess your parameter file name in your working folder is "ligand.itp". If that case, just remove the #include "ligand.prm".
Khabib Khumaini, Thanks, my parameter filename is topol.top. I have applied your suggestion and it pops up another error.
Fatal error:
Syntax error - File topol.top, line 19
Last line read:
'[ moleculetype ]'
Invalid order for directive moleculetype
I have several questions for clarification:
1. What is your ligand parameter name? is "ligand.itp" or "ligand.prm" or both?Is the files exist in the working directory?
2. Can you provide the last edited topology?
Thanks
- Badges
- Science topic