[gmx-users] localpressure.dat file not created
maxcw at physics.ucsb.edu
maxcw at physics.ucsb.edu
Thu Feb 10 01:48:42 CET 2011
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?
Thank you!
--Max
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