[gmx-users] generation of guanidium intramolecular force-field

[kinshuk at chem.iitb.ac.in]

Hi all,
  I have been try to put up MD simulation of guanidium chloride simulation
in SPC water model.I have been facing problem regarding *.rtp, *.itp
file generation for new entry for guanidium ion.If any one is aware
about how to create above mentioned file please let me give some insight
about file corresponding guanidium ion.
  I tried to make it with argenine side chain but i have been facing
problem while generating above mentioned file.


kinshuk raj srivastava
IIT-Bombay
Mumbai, India