AMBER Archive (2009)

Subject: Re: [AMBER] input file / skinnb

From: case (case_at_biomaps.rutgers.edu)
Date: Wed Sep 16 2009 - 06:56:01 CDT

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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