This is the Linux app named PUPIL whose latest release can be downloaded as pupil-v3_0_0.tar.gz. It can be run online in the free hosting provider OnWorks for workstations.
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PUPIL
DESCRIPTION
PUPIL (Program for User Package Interface and Linking), is a software environment that allows developers to link quickly and efficiently together multiple pieces of software in a fully automated multi-scale simulation. More specifically, it supports QM/MM MD simulations where the user might choose among any of the different MD engines and QM engines, which are connected to PUPIL as external programs through a tiny specific interface. One of the main advantages here is that the user can use most of the functionalities that may have those external programs interfaced without the necessity to be reimplemented again on independent interfaces. In fact, this simulation interface concentrates all the common code involved in the coupling terms of the QM/MM approach.
Audience
Science/Research, Advanced End Users, Developers
User interface
Java Swing
Programming Language
Fortran, C, Java
Categories
This is an application that can also be fetched from https://sourceforge.net/projects/pupil/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.
