[gmx-users] Problems with trjconv

Justin Lemkul jalemkul at vt.edu
Fri Feb 16 20:50:39 CET 2018

On 2/16/18 2:35 PM, Poncho Arvayo Zatarain wrote:
> Hello Gomacs users: I have a problem with a lipid bilayer. The bilayers is inverted, the water is in the middle and the lipid tails are outside. How can i flip it to a correct way? I´m trying with gmx trjconv -f file.gro -s file.tpr -n index -o file.gro -pbc whole but nothing happens. In index i use option System. What can i do to flip the bilayer? should i use lipid and water options in index?

I answered this earlier this morning. Please try what I suggested.



Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


More information about the gromacs.org_gmx-users mailing list