[gmx-users] problem with inflategro

[kordzadeh at aut.ac.ir]

Hi all

when I used inflategro in KALP in DPPC tutorial, I had no problem,

but in my system I have a receptor in bilayer , I have 1152 DPPC when I use inflategro in systeminflated.gro file some of lines is duplicated, this happens for 200 DPPC, as follow:

35DPPC          0  1716.798  16.173   4.117

   35DPPC    C1 1701  20.679  15.409   8.337

   35DPPC          01717.798  16.343   4.156

   35DPPC    C2 1702  20.849  15.448   8.504

   35DPPC          01718.798  16.296   4.317

   35DPPC    C3 1703  20.802  15.609   8.336

   35DPPC          01719.798  16.306   4.173

   35DPPC    N4 1704  20.812  15.465   8.363

  

what is wrong? what can I do? should I clear copied lines manually?

Thanks in advance

Regards

Azadeh

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