[gmx-users] rescaling PBC for PDB output

Alan Wilter Sousa da Silva alan at biof.ufrj.br
Mon Apr 14 16:56:01 CEST 2003

Hi List!

	I have a simulation with a lot of water. I just wonder if I could
use trjconv to generate a PDB output with box smaller than the original
one (just covering protein for example) and with water within the box, but
excluding the waters outside the new box.

Many thanks in advance for any suggestion or help.


Alan Wilter S. da Silva
 Laboratório de Física Biológica
  Instituto de Biofísica Carlos Chagas Filho
   Universidade do Brasil/UFRJ
    Rio de Janeiro, Brasil

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