try mdrun_d and g_wham:
Can you tell me how to produce pdo file?
thank you very much!
黄永棋 <[EMAIL PROTECTED]> 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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