[gmx-users] Backward compatibility of charmm-ff implementation

Sai Pooja saipooja at gmail.com
Thu Jul 22 17:02:17 CEST 2010


I used the git version of gromacs_with_charmm27_forcefield_nocmap(June, 20,
2010) to generate .gro and .top files. I then used these files on
gromacs-4.07 by copying the charmm27-ff library to my working directory.
Since I was not using cmap, gb and nucleic acid and lipids I deleted those
files in the charmm-ff library.

I am able to use these files(.gro and .top) on gromacs-4.07 with grompp to
generate .tpr files. Could this lead to errors I cannot foresee?


Quaerendo Invenietis-Seek and you shall discover.
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