From: farzad kiani (farzad_kiani1364_at_yahoo.com)
Date: Mon Dec 10 2012 - 09:47:00 CST
Hi,
I want to make psf file for carbon nanotube
I used below tcl in VMD
package require topotools
topo retypebonds
topo guessangles
topo guessdihedrals
mol reanalyze 0
animate write psf cnt.psf
but in psf file there is no atom name
PSF
1 !NTITLE
REMARKS VMD-generated NAMD/X-Plor PSF structure file
1658 !NATOM
1 1 C C C 0.000000 12.0110 0
I am adding name manually to psf file, but when I run it by namd X-polar psf error happen
Dose anyone know what should I do?
thanks a lot
Kiani
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