[gmx-users] Some basic questions about trajconv

[Yip Yew Mun]

Hi all,

I’ve recently switched from AMBER and started using Gromacs. I have just ran a CG MD and I wish to do post-analysis on the trajectory. So if I wish to center my molecule in the water box, then remove the waters, what should the appropriate command for trajconv be?

Thanks, any help would be greatly appreciated. =)

Yip Yew Mun (Mr) | PhD Research Scholar | Division of Chemistry & Biological Chemistry
School of Physical & Mathematical Sciences | Nanyang Technological University | Singapore 639798
Tel: (+65) 97967803 | Email: yipy0010 at e.ntu.edu.sg | GMT+8h