[gmx-users] PBC problem

Albert mailmd2011 at gmail.com
Fri Apr 21 14:57:18 CEST 2017


Hello,

I try to visualize a .gro file from Martini simulation. However, I 
noticed that the lipids always above the water molecule and my protein 
split into two. Even after I run the following command:

gmx trjconv -s dppc-md.tpr -f dppc-md.gro -pbc whole -dump 0 -o 
dppc-md-pbc.gro

The issue is still there.

Here is a snapshot for my problem:

https://www.dropbox.com/s/qvoxa70tr625w46/pbc.jpg?dl=0

Does anybody have any idea how to solve this problem?

Thank you very much.


Albert



More information about the gromacs.org_gmx-users mailing list