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

[JW Feng]

Using "trjconv -ur compact -pbc atom" worked.

JW

On 10/9/07, JW Feng <jw.a.feng at gmail.com> wrote:
> 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"
>
> Thanks,
>
> JW
>
> --
> Jianwen A Feng
> Center for Computational Biology
> Washington University in St. Louis
>


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