[gmx-users] Doubt from topology creation

[Rakesh Pant]

Dear all,

I am trying to create a topology for a molecule using g_x2top and have
defined all the atoms with connectivity in *atomname.n2t* file with
different opls no. for all different types of atoms.

But when I create topology, it does not identify all different atomtypes
and takes one common opls no. for some of the atoms.

I have attached the pdb file and .n2t file.

Thanks

-- 
Rakesh Pant/राकेश पंत
Research Fellow/अनुसंधान फेलो
Indian Institute of Science Education and Research (IISER)
भारतीय विज्ञान शिक्षा एवं अनुसंधान संस्थान
Pune-411008, India/ पुणे - ४११००८, भारत
Web:http://www.iiserpune.ac.in/~arun/webarun_files/rp.htm