[gmx-users] tutorial problem

Mark Abraham mark.j.abraham at gmail.com
Sun Jul 22 14:06:34 CEST 2018


Your working directory is the one in which you are doing your work. You are
making a copy of the normal force field folder, so that next time you use
it, you know it is unchanged from what GROMACS provides. Having made the
copy, edit the files in the copy.


On Sun, Jul 22, 2018, 09:49 工业131 焦凤轩 <18792742916 at 163.com> wrote:

> dear all
>        I am a new user,I was doing this tutorial(
> http://www.mdtutorials.com/gmx/membrane_protein/index.html)  it said {To
> use the parameters in lipid.itp, we will have to make some changes to our
> pre-packaged GROMOS96 53A6 force field files (in $GMXLIB/gromos53a6.ff).
> Make a copy of this directory in your working directory called
> "gromos53a6_lipid.ff"},I install gromacs in usr/local/ .  ,so this WORKING
> DIRECTORY means in which layer of folder ?is  it  /usr/local/gromacs/
> share/gromacs/top/ ?then this tutorial said (modify forcefield.doc to
> update the description of the force field parameters in it),so I should
> modify the forcefield .doc in the new created folder called
> gromos53a6_lipid.ff or the initial folder gromos53a6.ff? I  will appreciate
> it if anyone can solve my problem.
>  thank you
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