From: Jinasena Hewage (
Date: Fri Jun 12 2015 - 15:51:20 CDT

I just want to make a PDB file containing few water molecules to
insert into a nanotube. I tried it several ways.

Using molefracture facility, I tried

* Making a PDB for a single water molecule and used periodic facility
to align several water molecules in Z direction. But I couldn't get
this file save as PDB,
 when I save it only one molecules is there.

* Then making single molecule PDB files and add them all using tcl
commands calling the psfgen.

Unfortunately none of these works.

Could you please help me to do this job.

Thank you


Dr. Jinasena Hewage
Senior Lecturer  in Physical Chemistry
(Current Position: Visiting Academic, Research School of Chemistry,
Australian National University)
Department of Chemistry
University of Ruhuna
Matara, Sri Lanka
(+94) 071 4500 389