psf problem

From: ipsita basu (
Date: Sat Mar 12 2011 - 04:33:39 CST

Hi all,
    I have a system composed of lipid, protein and sugar. I am facing
the following error while running the system in namd:
Fatal error on PE 0> FATAL ERROR: Atom 129 has bad hydrogen group
size. Check for duplicate bonds.
I build the psf in xplor format using charmm. I used the same
procedure for psf before for other systems where the system contains
no sugar and found no problem.
Can you please help me to solve the problem. It'll be really helpful to me.

Thanking You,

Ipsita Basu
Research Fellow
c/o : Dr. Chaitali Mukhopadhyay
Rajabazar Science College
92 APC Road
Kolkata - 700009

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