[gmx-users] g_wham and the *.pdo files

[黄永棋]

Hi gmx-users:

By mdrun ,I got a *.pdo file , however , when I wanted to use the g_wham programme to get a PMF, I got this error message: this is not a valid pdo file. The command I used is: g_wham pull.pdo -o pmf.xvg. What should I do if I want to analyze the pdo file to get a PMF?

Any help is appreciated . Thanks in advance.


Yongqi Huang



黄永棋
2007-03-08
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