[gmx-users] trjconv, -pbc whole, and Max OS X?
muta.mestri at gmail.com
Thu Nov 17 22:09:19 CET 2005
What about the initial structure of the run?
On 11/17/05, Emma Falck <efalck at cc.hut.fi> wrote:
> My problem is with the trjconv command. I am trying to convert a
> in the .trr format to a trajectory in the .gro format, such that the
> molecules are whole in the resulting trajectory. To do so, I use trjconv
> with the option '-pbc whole'. Even so, my molecules -- both lipids and
> water molecules -- are broken in the resulting .gro file.
> I recently installed Gromacs 3.3 to my PowerBook, that runs OS X 10.4.
> I did not compile Gromacs from the source, but used the OS X package
> on the gromacs pages.
> Has anyone else had related/similar problems with trjconv, in particular
> OS X?
> Best regards,
> Dr. Emma Falck
> Beckman Institute, UIUC
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Graduate Research Assistant,
Old Dominion University, "VIRGINIA".
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