[gmx-users] TIP5P-E water
spoel at xray.bmc.uu.se
Mon May 23 22:04:37 CEST 2005
On Mon, 2005-05-23 at 16:47 -0300, Lin Zhen wrote:
> Dear All,
> Thank you very much for replying my message:).
> I have installed the Gromacs and I am trying to simulate
> TIP5P-E water, i only find the tip5p.itp and tip5p.gro file in the top
> folder, but missing .top file. Do I have to use pdb2gmx program to
> generate the .top file, then do i need to write the .pdb file ?
Modify the tip5p.itp file according to the paper and chapter 5 in the
> Is there anyone can tell me how to simulate the TIP5P-water?
> Thank you very much!
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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