[gmx-users] trjconv -pbc/ box/ solvent

Justin A. Lemkul jalemkul at vt.edu
Wed Nov 3 12:06:09 CET 2010

shahab shariati wrote:
> Hi gromacs users
> I want to know after using trjconv -pbc, box disappears and solvent 
> molecule recedes from solute. is it true?

That doesn't sound like anything normal.  If you're trying to figure out what 
the -pbc option does, don't sit around and wait for a reply to an email - try 
it.  If you're having a specific problem as a result of using trjconv, describe 
specifically what you did, what you observed, and why you think it's wrong.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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