[gmx-users] .mdp file

Dinesh Pinisetty dpinis1 at lsu.edu
Mon Sep 6 19:16:54 CEST 2004

Hi Dr.David,
       I am sending you my .mdp file.Please check this out once.Its the
same .mdp file which I used to perform Energy Minimization on the DPPC
membrane system downloaded from Dr.Tielmenn's website.It did work fine
then,so i thought of using the same file again.
   After performing grompp I am getting .tpr file.Then again if try EM by
mdrun -nice 0 -v -s input.tpr -o m.trr -c m.gro -e m.edr .I am getting the
error as
step 0
> Step 1 Warning: pressure scaling more than 1%, mu: 1.03558 1.03558
> Segmentation fault
Now please check this file and help me out..........

Thanking you,
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