[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

-- 
========================================

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

========================================



More information about the gromacs.org_gmx-users mailing list