[gmx-users] GROMACS - tip7p itp and gro files - couldn't find them anywhere

[Jacek Artur Kozuch]

Hi all,

I've seen that recent tip7p water model (https://pubs.acs.org/doi/10.1021/acs.jpcb.9b03149) and wanted to try it out. However, I couldn't find or I missed where the itp and gro files are deposited.

Anybody knows where to find them?

Thanks a lot in advance!

Best,
Jacek
[https://pubs.acs.org/na101/home/literatum/publisher/achs/journals/content/jpcbfk/2019/jpcbfk.2019.123.issue-21/acs.jpcb.9b03149/20190523/images/large/jp-2019-03149k_0011.jpeg]<https://pubs.acs.org/doi/10.1021/acs.jpcb.9b03149>
Seven-Site Effective Pair Potential for Simulating Liquid Water | The Journal of Physical Chemistry B<https://pubs.acs.org/doi/10.1021/acs.jpcb.9b03149>
Constant pressure simulations were carried out to construct a new rigid nonpolarizable seven-site water model (TIP7P), which is an effective and efficient version of flexible seven-fluctuating-charge water model. In this model, the positive charges are located on three nuclei and the negative charges disperse on two bond sites at the geometric center of each OH bond and two lone-pair sites ...
pubs.acs.org



________________________________________________
Dr. Jacek Kozuch
Postdoctoral Researcher - Boxer Lab

Stanford University
Department of Chemistry
Keck Science Building
380 Roth Way
Stanford, California 94305-5012
phone +1 (650) 723-0386
https://web.stanford.edu/group/boxer/
________________________________________________