[gmx-users] Where can I get .gro and .itp files for different models of water?

Justin A. Lemkul jalemkul at vt.edu
Sun Jan 18 13:06:05 CET 2009

drugdesign wrote:
> Dear Gromacs users,
> I am making tutorial on GROMACS but I can't find mdcourse folder in my installed software. I've taken spc.gro from spc.pdb from tutor folder.
> I wonder where can I get spc.itp and spc216.gro?
> In tutorial it is reffered to mdcourse directory, but I don't have such a directory.
> I also wonder where I can get TIP3P.gro and .itp files and also the same TIP4P files.

All of these are in the share/top subdirectory of your Gromacs installation.


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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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