VMD-L Mailing List

From: Majid Shahbabaei (m.shahbabaei_at_gmail.com)
Date: Wed Jan 28 2015 - 23:09:54 CST

Dear VMD USERS,

I did make a model that consists of a box (SPC/E water molecules inside a
two carbon atom walls ) connected to a carbon tube. I used the "topotools"
to convert my PDB data to LAMMPS and also I have used the "topo
guessangles" command to show the angles. Please take a look at the data
file obtained by topotools which added in the end of this email. I just
want to consider H-O-H angles and neglect the C-C-C angles.

Could anybody tell me how to delete the C-C-C angles through VMD?

LAMMPS data file. CGCMM style. atom_style full generated by VMD/TopoTools
v1.2 on Tue Jan 27 11:10:34 KST 2015
 3372 atoms
 4467 bonds
 *28243 angles*
 0 dihedrals
 0 impropers
 3 atom types
 1 bond types
 *2 angle types*
 0 dihedral types
 0 improper types

# Pair Coeffs
#
# 1 C
# 2 HW
# 3 OW

# Bond Coeffs
#
# 1

# Angle Coeffs
#
# 1 H-O-H
# *2 C-C-C* *# I want to delete that*

 Masses

 1 12.011000 # C
 2 1.008000 # HW
 3 15.999000 # OW

Thanks in advance

MajiD