VMD-L Mailing List

From: Zumot, Elia Nabil (enz1_at_pitt.edu)
Date: Mon Sep 26 2011 - 08:08:59 CDT

Hi,

Last line should be
$sel writepdb eq.pdb

You need to determine what atom selection to put into the pdb file.

Elia Zomot, PhD
Computational and Systems Biology Department
School of Medicine, University of Pittsburgh
3083 BST3, 3501 Fifth Ave, Pittsburgh, PA 15213
Voice: 412 648 7785 - Fax: 412 648 3163
enz1_at_pitt.edu
________________________________________
From: owner-vmd-l_at_ks.uiuc.edu [owner-vmd-l_at_ks.uiuc.edu] On Behalf Of matziast_at_med.uth.gr [matziast_at_med.uth.gr]
Sent: Monday, September 26, 2011 7:08 AM
To: vmd-l_at_ks.uiuc.edu
Subject: vmd-l: convert .coor to pdb

Hi,
I would like to convert many .coor from equilibration to pdb and I use the
following script but it does't run.
mol load psf mypsf.psf
mol addfile eq_LNZ.coor
set sel [atomselect top all]
writepdb eq.pdb

Can anyone help me?
Thank you in advance.