[gmx-users] localpressure.dat file not created

maxcw at physics.ucsb.edu maxcw at physics.ucsb.edu
Thu Feb 10 22:20:52 CET 2011

> 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

I don't know if I have a port of the local pressure variant. How do I find
out? Or, what version of GROMACS is more compatible with the local
pressure variant?



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