[gmx-users] mdp file coarse grained simulation with cutoff-scheme =?utf-8?Q?=3D_?=Verlet

Carlos Navarro Retamal cnavarro at utalca.cl
Sun Dec 14 19:42:18 CET 2014


Dear gromacs users,
I’mt trying to improve the performance of some CG simulations by using GPU (with cutoff-scheme = Verlet). So i’m trying to create an specific mdp file for my simulations (4.6.3 version for now) without luck so far.
Could someone provide me a parameters file? i'll be appreciated for your help.
Have a nice day,
Carlos
--  
Carlos Navarro Retamal
Bioinformatic engineer
Ph.D(c) in Applied Science, Universidad de Talca, Chile
Center of Bioinformatics and Molecular Simulations (CBSM)
Universidad de Talca
2 Norte 685, Casilla 721, Talca - Chile   
Teléfono: 56-71-201 798,  
Fax: 56-71-201 561
Email: carlos.navarro87 at gmail.com or cnavarro at utalca.cl



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