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/ ________________________________________________ -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
