[gmx-users] Backward compatibility of charmm-ff implementation
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.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users