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From: amin_at_imtech.res.in
Date: Thu Apr 26 2012 - 04:42:40 CDT
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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
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- application/msword attachment: top-ign-cgenff.rtf
- application/octet-stream attachment: ign.psf
- application/octet-stream attachment: ign.pdb
- application/octet-stream attachment: ign.pgn
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