[gmx-users] pullx and pullf
shivangi.nangia at gmail.com
Fri Jan 24 18:55:22 CET 2014
I am running a umbrella sampling but not using the pull code.
I have various starting configurations for a protein-bilayer system.
I am performing md runs for each configuration separately.
In order to use g_wham I need pullx/pullf .xvg files.
I have tried these commands:
1) mdrun_mpi -s nocard1.tpr -px ( to run the md simulation), pullx.xvg is
2) Post md run
mdrun_mpi -s nocard1.tpr -cpi nocard1_moved.cpt -rerun nocard1_moved.xtc -px
pullx.xvg is still not generated.
More information about the gromacs.org_gmx-users