Dear lammps 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.