VMD-L Mailing List

From: leila karami (karami.leila1_at_gmail.com)
Date: Thu Mar 10 2011 - 06:11:56 CST

Hi,

I want to gain *.trr file from *.xyz or HISTORY file with VMD 1.8.7
program. simulated box is triclinic with box vectors:
 3.460 0.000 0.000
 1.730 2.997 0.000
 0.000 0.000 10.00

but in *.trr zero box vectors are reported as the following:
 box (3x3):
      box[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00}
      box[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00}
      box[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00}

Could anyone please advice me how to solve this?how to fix triclinic box
with VMD or other alternative?

Good luck