Hi all, I am performing a simulation of peptide at air/water interface.
The box vectors are: x,y,z where 2x=2y=z. After loading the trajectory to the vmd, I realized that water molecules moved out of bulk water in the z direction: into the vacuum. However, the peptide also moved out of the bulk water, but at this time, not in the z direction but in the x direction. Although I expanded the box only in the z direction, what may be the probable reason for this? Ozge. _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
