VMD-L Mailing List

From: leila karami (karami.leila1_at_gmail.com)
Date: Sat Mar 12 2011 - 00:50:40 CST

Dear Axel

thanks for your attention

I typed these commands in vmd console:

package require pbctools

it printed: 2.5

in counting what do I perform to save box vector as the following in *.trr
file ?

my 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

Best wishes