[gmx-users] center peptide in simulation box

[Maurício Menegatti Rigo]

Try this:

trjconv -pbc mol -ur compact

And maybe you will find some useful answers here:

http://www.gromacs.org/Documentation/Terminology/Periodic_Boundary_Conditions

I hope it helps


-- 
Maurício Menegatti Rigo
Núcleo de Bioinformática do Laboratório de Imunogenética
Departamento de Genética
Instituto de Biociências
Universidade Federal do Rio Grande do Sul
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