[gmx-users] localpressure.dat file not created

[Mark Abraham]

On 10/02/2011 11:48 AM, maxcw at physics.ucsb.edu wrote:
> I successfully ran version 4.5.3 to simulate a small DPPC bilayer patch
> using the files from Marrink's website by typing:
>
> /usr/bin/grompp -v -f mem.mdp -c mem.gro -p mem.top -o topol.tpr -maxwarn 100
>
> mdrun
>
> In the .mdp file I then added the line "userreal1=0.1" and typed
>
> /usr/bin/grompp_d -v -f mem.mdp -c mem.gro -p mem.top -o topol.tpr
> -maxwarn 100
>
> mdrun_d -rerun traj.xtc -v
>
> Everything ran smoothly, but I don't see any localpressure.dat file
> sitting in my directory. How can I get it?

AFAIK there's no port of the "local pressure" variant of GROMACS to 
4.5.3. You haven't told us whether you think you have one.

Mark