1. General topics
  3. Martini Philosophy
  5. Difficulty adding the martini force field

normal Difficulty adding the martini force field

  • jcopp
  • jcopp's Avatar Topic Author
  • Offline
  • Fresh Boarder
More
7 years 4 months ago #6569 by jcopp
Difficulty adding the martini force field was created by jcopp
Hi, I only have a few months experience with GROMACS and this is my first foray into coarse graining. However I'm struggling with adding the Martini force field to GROMACS.
Previously the only forcefield I've had to add to GROMACS was CHARM. However with that I found a folder to download that contained everything I needed such as the atomtypes.atp, ffbonded.itp, .rtp ect files, which I then added to the top folder within GROMACS.
I am unable to find any of these other files for the Martini force field in the downloads section only the input parameter.itp files as well as .itp files for aminoacids, solvents ect.
I was wondering if I was looking in the wrong place or if theirs something I need to these .itp files before the forcefield will work.

Thank you in advance.

Please Log in or Create an account to join the conversation.

More
7 years 3 months ago #6865 by jbarnoud
Replied by jbarnoud on topic Difficulty adding the martini force field
Hi,

You can find the ITP files for the force field in the download section of the website: md.chem.rug.nl/index.php/force-field-par...particle-definitions

There are no RTP files for martini and they are not needed anyway. To use martini, you have to include the main martini itp in your top file using the "#include" statement. You can find more detailed explanations in the tutorials: md.chem.rug.nl/index.php/tutorials

Please Log in or Create an account to join the conversation.

  1. General topics
  3. Martini Philosophy
  5. Difficulty adding the martini force field
Time to create page: 0.081 seconds