[gmx-users] pullx and pullf

[shivangi nangia]

Hello,

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
not generated

2) Post md run

mdrun_mpi -s nocard1.tpr -cpi nocard1_moved.cpt -rerun nocard1_moved.xtc -px

pullx.xvg is still not generated.


Kindly help.


Thanks,

sxn