[gmx-users] (no subject)
Mark.Abraham at anu.edu.au
Thu May 26 07:01:29 CEST 2011
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.
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