[gmx-users] usage trjconv in membrane simulation
Мижээ Батсайхан
b.mijiddorj at gmail.com
Wed Feb 22 08:57:28 CET 2017
Dear gmx user,
Hello, I complited calculation of KALP15 in DPPC. I would like to make
further analysis such as generate structures of trajectory.
I used following sequence of commands for gmx trjconv:
1. -pbc nojump
2. -pbc mol -ur compact
3. -pbc res (one case, ignored, but result is same)
4. -fit transxy
In the result, there are some atoms of water very far from the system.
How can I get right structure view?
Please advice me?
Is there any common used sequence of trjconv's command this type of
situation?
Best regards,
Mije
More information about the gromacs.org_gmx-users
mailing list