Open orbeckst opened 6 years ago
@AndySomogyi didn't you use GW for your multiscale code?
We used GromacsWrapper for the MDPOW workflow in
@dotsdl did you use GW for any of your published papers? Or only for mdworks?
Aye – will get to it as soon as i return from my well-deserved holiday trip to the remote ends of the Carpathian Mountains ⛰ (which will be in 1 week)
On Mon, Aug 27, 2018 at 9:59 AM Oliver Beckstein notifications@github.com wrote:
@dotsdl https://github.com/dotsdl did you use GW for any of your published papers? Or only for mdworks https://github.com/Becksteinlab/mdworks?
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The group that I belong at UFBA/Salvador (or used to because now I'm really on the internet industry) was mostly a pharmaceutical (and biotech) group. Python data structures and error handling is generally too much computing for most of us. Even the software I made wasn't really used by them.
We currently have a paper in review where I used GromacsWrapper
Philip Loche, Cihan Ayaz, Alexander Schlaich, Douwe J. Bonthuis, and Roland R. Netz. Breakdown of linear dielectric theory for the interaction between hydrated ions and graphene. Physical Chemistry Letters, 2018.
For the paper #147 it would be very beneficial to demonstrate that GromacsWrapper has been used elsewhere, especially in software or work that can be cited.
Please add to this issue any citation for work that used GromacsWrapper.