VMD-L Mailing List

From: amin_at_imtech.res.in
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.

Amin.

______________________________________________________________________
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