[gmx-users] g_wham 4..0.x input file: tpr-files.dat ?

[Y.C. Huang]

Hello everyone:

I have a question about the g_wham version 4.0.x.
After I tried to do umbrella sampling by using mdrun 4.0.x, I had these
files:

pullf.xvg pullx.xvg umbrella_test.err umbrella_test.tpr umbrella_test.gro
umbrella_test.trr umbrella_test.edr umbrella_test.log umbrella_test_prev.cpt
umbrella_test.cpt

In order to get the energy profile, I use this command

g_wham -ix pullx.xvg -it umbrella_test.tpr -o profile.xvg -hist histo.xvg
or
g_wham -if pullf.xvg -it umbrella_test.tpr -o profile.xvg -hist histo.xvg


But I saw the error message:

File input/output error:
umbrella_test.tpr.dat

Did I missing something? Please help me.