Protein Structure & Molecular Modeling Laboratory
Institute of Biosciences & Applications
N.C.S.R. "Demokritos", 15310 Ag. Paraskevi-Athens, Greece

 

GROMITA-4.6 is an update of the GROMITA-GUI, compatible with GROMACS v.4.6.x, developed in the laboratory of PROTEIN STRUCTURE & MOLECULAR MODELING of the INSTITUTE OF BIOSCIENCES & APPLICATIONS of the NATIONAL CENTER FOR SCIENTIFIC RESEARCH “DEMOKRITOS”,Ag. Paraskevi-Athens, Greece, by Christoforos Zarkadas & Metaxia Vlassi in the framework of the GSRTs KRIPIS action (“DIAS” project), funded by Greece and the European Regional Development Fund of the European Union (NSRF 2007-2013)

It contains additional features (as compared to the old GROMITA v.1)  such as the 'prepare genion' and'genion' buttons, related to the GROMACS program, genion and is upgraded and known bugs-free (as compared to GROMITA-3.01). Additionally, it includes a new feature (bash shell script) that outputs information on the simulated system, running parameters and performance.

GROMITA-4.6 is written in perl making extensive use of perl/tk achieving portability in a wide variety of operating systems and architectures and provides friendly to use buttons in a window-based environment while maintaining a terminal mode for the experienced user.

 

When using GROMITA-4.6 or any part of it, please cite:

 

Development Team:

Christoforos Zarkadas, MSc & Metaxia Vlassi, PhD

 

Funding: this work was performed in the framework of "Target Identification for Disease Diagnosis and Treatment (DIAS)" project within GSRT’s KRIPIS action, funded by Greece and the European Regional Development Fund of the European Union under the O.P. Competitiveness and Entrepreneurship, NSRF 2007-2013

 

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Copyright © 2014-2015 PROTEIN STRUCTURE & MOLECULAR MODELING LAB,

INSTITUTE OF BIOSCIENCES & APPLICATIONS, N.C.S.R. “DEMOKRITOS”, Ag. Paraskevi-Athens, Greece.

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