[gmx-users] trjconv - PBC

[Tsjerk Wassenaar]

Hi,

You don't need a .tpr file for removing jumps; a pdb/gro file will do.

Cheers,

Tsjerk

On Oct 24, 2011 2:51 PM, "Justin A. Lemkul" <jalemkul at vt.edu> wrote:

Steven Neumann wrote: > > Dear Gmx Users, >  I am trying to convert my
trajectory using trjconv.  ...
trjconv -dump 0

> > 3. Remove jumps if you want to have them removed using the first frame >
>   > trjconv -f traj...
Recreate the .tpr file using the coordinate file produced in (2).

-Justin

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Justin A. Lemkul
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ICTAS Doctoral Scholar
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Department of Biochemistry
Virginia Tech
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jalemkul[at]vt.edu | (540) 231-9080
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