[gmx-users] g_wham tpr files

ANDRES ADOLFO ORTEGA GUERRERO andres.ortega at correounivalle.edu.co
Mon Jul 21 15:39:43 CEST 2014

Hi Dear Gromacs Users,

I ran a US simulations but i checked my .mdp file,
i put the pull_coord1_vec       = 0.0 0.0 1.0 ;
instead of pull_coord1_vec       = 0.0 0.0 -1.0 ; (the correct one)

it is ok to use grompp and generate the right .tpr files, and use the
pullf-files that i already have and use g_wham or do i have to run mdrun
with the new .tpr files?

Thank Youm in advance


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