VMD-L Mailing List

From: safron saif (safron10_at_gmail.com)
Date: Wed Jun 29 2011 - 04:02:57 CDT

Dear vmd users,

I am using Materials Studio software to get the structure of Carbon Nanotube
(defective).I got pdb file for the structure from Material Studio and
loaded the same to the VMD to create ".txt" file ( for lammps input ). But
the problem is that the txt file does not included the angle
information(means it is showing number of angles is zero) .Due to this
reason, i cant give any angle information in lammps code ( ie angle style or
angle coefficient in lammps code) so that some kind of deformation is
undergoing to the structure during simulation .Does the psf file solve this
problem? If yes ,how can i get the psf file .OR is there any solution for
this problem ? please suggest me

thanking you,
safron.