[gmx-users] Problems with trjconv
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.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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