On 26/05/2011 2:55 PM, Ravi Kumar Venkatraman wrote:
Dear Sir/Madam,
In gromacs tutor we have water .gro file for spc
potential. How to get .gro files from spc216.pdb of different
potentials like tip3p tip4p ... etc.
You don't need a file in .gro format, and coordinate files for any of
the three-point water models are interchangeable. There are other files
in $GMXLIB/share/top for the other water models.
Mark
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