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

Vitaly Chaban vvchaban at gmail.com
Mon Jan 19 10:14:58 CET 2009

> I also wonder where I can get TIP3P.gro

You can easily construct *.gro files yourself using genconf utility if
you know the geometry of the model.

Vitaly V. Chaban, Ph.D.(ABD)
School of Chemistry
V.N. Karazin Kharkiv National University
Svoboda sq.,4, Kharkiv 61077, Ukraine
email: chaban at univer.kharkov.ua,vvchaban at gmail.com
skype: vvchaban, mob.: +38-097-8259698

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