g_wham -ix PREPxvg.dat -it PREPtpr.dat
The -ix option expects the pull positions. If you want to provide the
pull forces to g_wham, use the -if option.
Cheers,
Jochen
PREPxvg.dat and PREPtpr.dat are lists of the respective xvg and tpr
files. They are both in the same order, although they are ordered
alphabetically instead of sequentially (i'm not sure if that matters
or not). Here's PREPxvg.dat to illustrate the ordering:
onePREP0.xvg onePREP16.xvg onePREP22.xvg onePREP29.xvg onePREP7.xvg
onePREP10.xvg onePREP17.xvg onePREP23.xvg onePREP2.xvg onePREP8.xvg
onePREP11.xvg onePREP18.xvg onePREP24.xvg onePREP30.xvg onePREP9.xvg
onePREP12.xvg onePREP19.xvg onePREP25.xvg onePREP3.xvg
onePREP13.xvg onePREP1.xvg onePREP26.xvg onePREP4.xvg
onePREP14.xvg onePREP20.xvg onePREP27.xvg onePREP5.xvg
onePREP15.xvg onePREP21.xvg onePREP28.xvg onePREP6.xvg
Thanks for the help
Gard
--
---------------------------------------------------
Dr. Jochen Hub
Molecular Biophysics group
Dept. of Cell & Molecular Biology
Uppsala University. Box 596, 75124 Uppsala, Sweden.
Phone: +46-18-4714451 Fax: +46-18-511755
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