[gmx-users] trjconv behaving differently in 3.3.3 vs previous versions

[David van der Spoel]

rob yang wrote:
> Hi list,
> I have a system solvated in dodecahedron box. To visualize it, I used:
> trjconv -f system.gro -s system.gro -o visual.pdb -ur compact -pbc whole
> Version 3.3.3 gave me a cubic box with broken molecules while the previous versions gave me the right visualization on the same system.gro
> 
try -pbc mol.
otherwsie you are welcome to submit a bugzilla.

> Does anybody have any similar experiences? Thanks.
> 
> -Rob
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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