Dihedral energy not getting generated ( is zero )

From: prateeksha s (prateeksha.s_at_gmail.com)
Date: Wed Dec 26 2007 - 01:58:15 CST

Hi all,

I'm simulating a carbon/BN nanotube in water. I noticed that the dihedral
and improper energies are always zero. The impropers for this system are all
zero. But, the dihedrals are not. There are 732 infact.
I checked the parameter file, it had all the dihedral entries. I commented
them out, to check if it makes a difference, and namd threw an error. So, I
un-commented it and it worked fine. Except that the dihedral energies were 0

Please give your suggestions.


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