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From: Jinasena Hewage (jwhewage_at_gmail.com)
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.
-- 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