On Wed, Sep 16, 2009, Mag. Thomas Taylor wrote:
> Anyway as it turns out the skinnb parameter leads to "error in reading
> namelist cntrl".
The skinnb variable is in the &ewald namelist, not in &cntrl. The manual
correctly states this, but I sympathize with you, since I've made this mistake
myself.
One helpful idea: compile a version of sander using gfortran, and keep it
handy when you have problems with namelists. It gives good error messages
(like "Cannot match namelist object name skinnb") when you have a bad
namelist variable. It's too bad that the Intel (and some other) compilers
don't do the same.
....dac
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Received on Wed Sep 16 2009 - 05:00:02 PDT
