[gmx-users] GROMACS to AMBER

Hello all. I would like to know if there is a way to convert .trr or .xtc files from GROMACS to .crd files (AMBER trajectory). Best regards, Edson. ___ gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users

[gmx-users] CG to Atomistic

Hi. I would like to know how can I convert a coarse-grained PDB into atom PDB. Is there any tool in GROMACS for that? Best regards, Edson. ___ gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please

[gmx-users] CG to Atomistic

Hello all! I would like to know if anybody already know a way to convert a protein.pdb in course-grain to atomistic model? This protein was previus atomistic, but now I am working with its course-grain state to improve my analysis. best regards, Edson.

[gmx-users] CG to Atomistic

Hello all! I found the answer on: http://md.chem.rug.nl/~marrink/MARTINI/Tutorial.html Best regards, Edson. ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at

[gmx-users] Octanol

Hello all! I 'm working with a protein and I would like to make a system with octanol. I tried to use the archives that are on line at Gromacs Wiki - User contributions, but this solvent was constructed to OPLS. Then my sistem is very slow. My query is if is there any MDP, TOP and/or GRO to