Date: Thu Apr 26 2012 - 04:42:40 CDT

Dear all,
     I am trying to generate the psf file for a small molecule using parameters
generated by CGENFF but I am getting very high non integral charges. I am
using the command "vmd -dispdev text -e ign.pgn". I have attached the
required files. Can someone please help me with this?

Warm Regards.


सूक्ष्मजीव प्रौद्योगिकी संस्थान (वैज्ञानिक औद्योगिक अनुसंधान परिषद)
Institute of Microbial Technology (A CONSTITUENT ESTABLISHMENT OF CSIR)
सैक्टर 39 ए, चण्डीगढ़ / Sector 39-A, Chandigarh
पिन कोड/PIN CODE :160036
दूरभाष/EPABX :0172 6665 201-202

  • application/octet-stream attachment: ign.psf
  • application/octet-stream attachment: ign.pdb
  • application/octet-stream attachment: ign.pgn