VMD-L Mailing List

From: Hemant Gangwar (alerts4hemant_at_gmail.com)
Date: Thu Dec 18 2014 - 11:35:03 CST

Hey All,
I am trying to create lammps data for a protein complex using VMD topotools
1.5. I have created psf and pdb file. However when I am trying to save
lammpsdata file using ;
"topo writelammpsdata data.protein full", it correctly identifies bond,
angles and dihedral topology but does not write corresponding
coefficients.
Is there a way to read parameters files (e.g. all_prot.inp etc.) in
topotools so that it can write all parameters. I am aware of ch2lmp tools
but I want to work with topotools only if possible as they will not work
for the extension of this study.

Please let me know if I need to provide more details. Any help will be
appreciated.

Thanks