[gmx-users] Remove the water from the crystal structure of Protein in PDB file
Mark.Abraham at anu.edu.au
Fri Apr 3 05:36:11 CEST 2009
Chih-Ying Lin wrote:
> The protein is in the crystal structure.
> So, the PDB file includes some water molecules.
> Could I just remove those water molecules??
Some kinds of waters, yes. It sounds like you should go and do some
tutorial material - because this sort of issue gets treated in those.
More information about the gromacs.org_gmx-users