[gmx-users] Simulation of difloromethane

Polavarapu, Abhigna polavara at indiana.edu
Fri Nov 7 21:13:56 CET 2008

Hi all,
          I am just running a test simulation for normal modes. I am unable to create a topology file for diflormethane as gromacs say "unrecognized MOL residue type". I created it manually but now it says " Invalid order for directive moleculetype, file ""topol.top"", line 17". Please tell me how to convert a molecule file with MOL types to gromacs topology and cordinate files.

Thank you

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