<blockquote class="replbq" style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"> Hi<br> I want to compute PMF between two amines and i create input file with <br> Umbrella sampling unfortunetly when I want to use g_wham i get error I <br> do'nt know what do i please help me<br> Thanks in advance<br></blockquote>fatal error:<br>"This does not appear to be a valid pdo file"<br>.pdo file:<br># UMBRELLA 3.0<br># Component selection: 0 0 1<br># nSkip 1<br># Ref. Group 'AMIN2'<br># Nr. of pull groups 1<br># Group 1 'AMIN1' Umb. Pos. 0.056000 Umb. Cons. 4500.000000<br>#####<br><br><p> 
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