[gmx-users] trjconv, -pbc whole, and Max OS X?

Emma Falck efalck at cc.hut.fi
Thu Nov 17 21:44:35 CET 2005


My problem is with the trjconv command. I am trying to convert a trajectory
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 provided 
on the gromacs pages.

Has anyone else had related/similar problems with trjconv, in particular with 

Best regards,


Dr. Emma Falck
Beckman Institute, UIUC

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