You are here
Converting coarse grained model of material studio into xyz format
Hi all,
I have successfully built a coarse grained model of polyethylene in Materials Studio softwar using "bulid polymer" and "corse grain option in build meso structure". At first I created the repeat unit then homopolymer and then used the coarse grain option in build meso structure. The model i showing the beads. But I can't export the xyz coordinate of the coarse grained model. Normally, after bulding full atom model, I creat crystal and export as "SHELX file (*.res,*.ins)" and get the coordinates from that file. But this is not working here. There are no coordinates in the exported file. I has just the title "Title Polyethylene CELL 0.000 10.000 10.000 10.000 90.000 90.000 90.000 LATT-1 END". I have also tried to export as ".pdb" files but still there are no atoms. Can anybody please help me how can I get coordinates of the coarse grained model to do simulation in lammps?
Thanks
Salah
- salah87's blog
- Log in or register to post comments
- 4193 reads
Recent comments