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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