On Mon, Sep 26, 2016 at 7:06 AM, 杨金鹏 <1507110130.csu.edu.cn> wrote:
> Dear
> when I learned the tutorial20--Modeling a Magnesium-DNA System using the
> 12-6-4 LJ-Type Nonbonded Model. When inputting "Parmed" or
> "xParmed"according to the steps of the tutorial, I met this prolem as shown
> in the following picture:
>
I *highly* recommend upgrading to AmberTools 16 for the 12-6-4 model.
Improved parameters and some fixes have been implemented since then.
> The version of AMBER and AmberTool is 14 and 15, respectively.
> $AMBERHOME=/home/jay/amber14. How do I solve this problem?
>
It looks like you need to source the appropriate Amber shell script. If
you use bash, sh, zsh, or ksh you need to source $AMBERHOME/amber.sh,
whereas if you use csh or tcsh, you need to source $AMBERHOME/amber.csh.
This is described in the installation section of the manual.
HTH,
Jason
--
Jason M. Swails
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Received on Mon Sep 26 2016 - 09:00:03 PDT
