[gmx-users] no data read from file pdo.gz

[Lyna Luo]

Dear GMX experts,

I can not figure out how to make g_wham readin data from my pdo file below, even though I tried different -b option and component selections. Please see the error message below. Thank you so much! -L

# UMBRELLA 3.0

# Component selection: 0 0 1

# nSkip 1

# Ref. Group TestAtom

# Nr. of pull groups 1

# Group 1 GR1 Umb. Pos. 0 Umb. Cons. 2.0

#####

5054910 6.86778783227709e-01

5054920 7.12201410957491e-01

5054930 7.20695103841784e-01

5054940 7.10706445794138e-01

5054950 7.30693655979543e-01

5054960 7.33930839499955e-01

5054970 7.45784725425651e-01

5054980 7.66841219351832e-01

5054990 7.61835548305989e-01



GROMACS:      gmx wham, VERSION 5.0

Executable:   /usr/local/gromacs/bin/gmx

Library dir:  /usr/local/gromacs/share/gromacs/top

Command line:

  g_wham -ip tt.dat -bins 5 -temp 300 -tol 0.001 -auto


Found 1 pdo files in tt.dat

Automatic determination of boundaries from 1 pdo files...

Using gunzig executable /bin/gunzip

Opening test.pdo.gz ... [100%]


Determined boundaries to 100000002004087734272.000000 and -100000002004087734272.000000


Opening test.pdo.gz ... [100%]

WARNING, no data points read from file test.pdo.gz (check -b option)