回复: [gmx-users] about PMF calculation

xi zhao zhaoxiitc2002 at yahoo.com.cn
Sat Mar 17 13:37:36 CET 2007


try mdrun_d and g_wham:
  Can you tell me how to produce pdo file?
  thank you very much!

黄永棋 <yoqihuang at sina.com> 写道:
    Hi gmx-users
   
  I am a gromacs beginner, I want to do the PMF calculation ,I have done as the manual said ,I added the ppa, ndx files and got a pdo file . But I don't know what to do with this pdo file.
  Can anyone tell me what should I do if I want to calculate the PMF?
  Thanks in advance.
   
   
  Yongqi Huang 

--
黄永棋


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