[gmx-users] Truncated Octahedron Box

David spoel at xray.bmc.uu.se
Mon May 31 22:05:41 CEST 2004

On Mon, 2004-05-31 at 19:06, Seonah Kim wrote:
> Hello All,
> I asked Villin Benchmark for octahedron box and Dr. Spoel replied to me that if 
> I use trjconv command, I can see the octahedron box.
> I still have one more question about trjconv. 
> I used trjconv option like,
> >trjconv -f full.trr -s full.tpr -o full.pdb 
add -pbc compact (or something like that)
> Now, I got the full.pdb file and upload this pdb file using VMD but it still  
> looks like cubic box instead of octahedron box. Did I miss something to see 
> octahedron box? If someone knows this solution, I'll greatly happy for this. :)
> Thank you for your help in advance...
> Seonah Kim
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
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://xray.bmc.uu.se/~spoel

More information about the gromacs.org_gmx-users mailing list