Hi,<br><br>I'm facing a problem with GROMACS that appears pretty simple, actually. I'm trying to set a dodecahedron box but all I can get is a triclinic box. For that, I'm using the following line:<br><i><br>editconf -f pMHC -bt dodecahedron -o -d 1 </i><br>
<br><br>Am I doing something wrong?? Another problem, different from this one, is that my protein, during the simulation, is escaping/comming off/"running away" (sorry I'm butchering the english) from the water box. I tried to use periodic boundaries conditions, but didn't work (I added a line in my .mdp file - pbc = xyz). Someone could help me with that, please? <br>
<br>I really appreciate !<br><br clear="all"><br>-- <br>Maurício Menegatti Rigo<br>Núcleo de Bioinformática do Laboratório de Imunogenética<br>Departamento de Genética<br>Instituto de Biociências<br>Universidade Federal do Rio Grande do Sul - Brazil<br>