[gmx-users] itp file for TIP7P

Jacek Artur Kozuch jkozuch at zedat.fu-berlin.de
Tue Mar 31 10:40:49 CEST 2020


Dear all,

I've seen the recent publication about the tip7p model
(https://pubs.acs.org/doi/10.1021/acs.jpcb.9b03149) and wanted to try it
out in some simple MD simulations.

Since I am still a pretty new Gromacs user, I didn't want to build the itp
file myself and, potentially or most probably, mess up something. Is there
a common github-like depository that I am missing where I could find the
tip7p-parameters.

If not, would be someone willing to help me in putting the itp file
together - the authors haven't responded yet.

Thanks in advance!

Best wishes,
Jacek



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