[gmx-users] Strange Behavior in gmx wham

Moradzadeh, Alireza moradza2 at illinois.edu
Tue Aug 6 02:31:25 CEST 2019


Dear Users,

I use gmx wham to calculate potential of mean force for multiple systems. I use the same command for all the simulations, however, in some cases I get pmfintegrated.xvg and sometimes it is not in the directory. Is it sort of a bug or there is a technical reason for it?

Thanks,
Alireza


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