[gmx-users] About -pbc option of trjconv

[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 use -pbc whole?

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

-Justin

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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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