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