VMD-L Mailing List

From: Alilovic,Kata (alilovickata_at_ufl.edu)
Date: Mon Jul 13 2020 - 09:13:19 CDT

Hello everyone,

I have been trying to create RBCG models (3GHG and 1CAG) for simulation using the Martini force field. I successfully created pdb files and I want to create the corresponding psf files. I followed steps in the tutorial (http://www.ks.uiuc.edu/Training/Tutorials/martini/rbcg-tutorial.pdf) and went over the tutorial example which works perfectly but when I try on my protein pdb files using Automatic PSF builder and files from the tutorial I get an error: failed on the end of the segment, molecule destroyed. Was anyone successful obtaining RBCG files needed for simulation? I would appreciate any advice.

Best,
Kata