From: ipsita basu (ibasu788_at_gmail.com)
Date: Fri Mar 11 2011 - 08:24:10 CST
Sir,
I have a problem while running namd for a system, a error appears :
Fatal error on PE 0> FATAL ERROR: Atom 129 has bad hydrogen group
size. Check for duplicate bonds.
I check the psf file and find no problem with that atom.
I use the psf in xplor format and parameter file is charmm type.
Can you please tell me how to get rid of the problem?
awaiting for yoyr reply.
Thank you.
-- Ipsita Basu Research Fellow c/o : Dr. Chaitali Mukhopadhyay Rajabazar Science College 92 APC Road Kolkata - 700009
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