[gmx-users] g_wham 4..0.x input file: tpr-files.dat ?
void.nyctimoon at gmail.com
Wed Mar 4 04:20:21 CET 2009
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
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
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
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:
Did I missing something? Please help me.
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