[gmx-users] Application of electric field on membrane

petrishia petrishia petrishia7 at yahoo.com
Wed Feb 25 12:07:51 CET 2015


hi,I have tried membrane tutorial by Justin Lumkel ..I have specified electric field in mdout.mdp file .During mdrun it shows the following error,
One of the box vectors has become shorter than twice the cut-off length or
box_yy-|box_zy| or box_zz has become smaller than the cut-off.
 Kindly help me to rectify this fatal error.With Regards,
A.Petrishia
Department of ECE,
College of Engineering,Guindy,
Anna University,
Chennai-600025
9444689919 

     On Tuesday, February 24, 2015 3:09 PM, petrishia petrishia <petrishia7 at yahoo.com> wrote:
   

 Dear gmx-users   I am new to gromacs....I want to apply intense pulsed electric field on lipid bilayer. How to modify md.mdp file to run production md simulation....Kindle help me to run the simmulation... With Regards,
A.Petrishia
Department of ECE,
College of Engineering,Guindy,
Anna University,
Chennai-600025
9444689919 

     On Tuesday, February 24, 2015 2:56 PM, petrishia petrishia <petrishia7 at yahoo.com> wrote:
   

 Dear Developers,I am new to Gromacs....I have installed Gromacs4.5.5. I have tried the membrane tutorial..I want to apply intense pulsed electric field with 100ps rise time...How do i run the simulation.Have to modify md.mdp file before production md simulation,,,Kindly help me to run the simulation. With Regards,
A.Petrishia
Department of ECE,
College of Engineering,Guindy,
Anna University,
Chennai-600025
9444689919

    

   


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