query about the cross term in psf

From: Kshatresh Dutta Dubey (kshatresh_at_gmail.com)
Date: Sat Dec 06 2014 - 13:31:42 CST

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Dear Users,

I prepared the psf and corresponding pdb using vmd, but it gave error :
UNABLE TO FIND DIHEDRAL PARAMETERS FOR O C NR3 HCL (ATOMS 7422 7421 7427
7448)

I googled the error and found somewhere that deleting the cross-terms in
psf can make job to run. I did and job is running now. However, I am
curious to know whether to delete cross-terms in psf is correct or not.
Please suggest me.
Thanks in advance.

-- 
With best regards
************************************************************************************************
Kshatresh Dutta Dubey
Post Doctoral Researcher,
Lise Meitner Center for Computational Quantum Chemistry
Hebrew University of Jerusalem Israel
Jerusalem, Israel

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