Re: [gmx-users] About -pbc option of trjconv

2011-05-19 Thread Justin A. Lemkul
Anirban Ghosh wrote: Hi ALL, I have a long simulation trajectory of 3 micro-seconds of multiple protein monomers in a lipid bilayer. Which -pbc option should be used with trjconv to process the trajectory before carrying out any analysis? I am using -pbc nojump, is it correct? Or should I u

[gmx-users] About -pbc option of trjconv

2011-05-19 Thread Anirban Ghosh
Hi ALL, I have a long simulation trajectory of 3 micro-seconds of multiple protein monomers in a lipid bilayer. Which -pbc option should be used with trjconv to process the trajectory before carrying out any analysis? I am using -pbc nojump, is it correct? Or should I use -pbc whole? Thanks a lot