[gmx-users] Re: 3.3.2 trjconv -ur compact -pbc whole problem

JW Feng jw.a.feng at gmail.com
Tue Oct 9 21:56:18 CEST 2007

GMX users,

In 3.3.1, I used "trjconv -ur compact -pbc whole  " to convert a
rhombic dodecahedron box so it could be displayed properly in VMD.
This does not appear to be working in 3.3.2.  Is there another way to
convert a box so it displays properly in a visualization program?

This is the command that I used,
" echo 0 | trjconv -ur compact -pbc whole -f 1fsv_heat300.gro -s
1fsv_heat300.gro -o 1fsv_heat300_visual.gro"



Jianwen A Feng
Center for Computational Biology
Washington University in St. Louis

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