[gmx-users] about editconf

Marco Ceruso mceruso at physbio.mssm.edu
Wed Oct 1 14:52:01 CEST 2003


try: editconf -h (-d sets the minimun distance (nm) between your solute -f
and the box wall)


-----Original Message-----
From: gmx-users-admin at gromacs.org [mailto:gmx-users-admin at gromacs.org]On
Behalf Of parinald at unsl.edu.ar
Sent: Tuesday, September 30, 2003 8:45 PM
To: gmx-users at gromacs.org
Subject: [gmx-users] about editconf

Hello gmx`ers:
              I run editconf to define the right boxsize for my sistem:
  editconf -f ${MOL}.gro -o ${MOL} -d 0.5
 what`s the meaning of "0.5"?,and how I can change the boxsize or water
number?. Thank you.

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