[gmx-users] Triclinic box of solvent

Pelin S Bulutoglu pbulutog at purdue.edu
Wed Apr 11 20:29:21 CEST 2018


I am trying to add solvent to both sides of a triclinic crystal. I used editconf to create a triclinic box and placed my crystal in the center of the box. After that I used gmx solvate to add solvent to the remaining parts of the box. Upon visualization of the .gro file I noticed that the solvent that is added to the box has a cubic shape rather than triclinic.

Is gromacs not able to create a triclinic box of solvent?


Pelin Su Bulutoglu

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