[gmx-users] New Local Stress/Lateral Pressure Code Available

[Juan M. Vanegas]

Dear GROMACS users, 

We have made publicly available a custom version of GROMACS for the
calculation of the local stress tensor/lateral pressure profiles from MD
simulations. The code and a brief manual are available from: 

http://www.lacan.upc.edu/LocalStressFromMD

The details of the implementation including stress profiles for lipid
bilayers simulated with MARTINI, BMW-MARTINI, G43A1-S3, and Berger FF can be
found in: 

"Importance of Force Decomposition for Local Stress Calculations in
Biomembrane Molecular Simulations" by Juan M. Vanegas, Alejandro
Torres-Sanchez, and Marino Arroyo. J. Chem. Theory Comput., Article ASAP 
DOI: 10.1021/ct4008926 

http://pubs.acs.org/doi/abs/10.1021/ct4008926

If you any questions/comments/bugs please contact Juan M. Vanegas
(juan.m.vanegas_at_gmail.com) or Alejandro Torres-Sanchez
(torres.sanchez.a_at_gmail.com). 

(Sorry to re-post this, but the first time it was not posted on the
gmx-users list)

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