torsional restrain

From: Lara rajam (lara.4884_at_gmail.com)
Date: Thu Feb 23 2017 - 10:14:21 CST

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Dear NAMD

I would like to use the torsional restraint in the simulation. I went
through the manual. This is my first time of adding restraints
and added

extrabonds on

extrabondsfile res.txt

in the configuration file.

the file contents are below

dihedral 2048 2053 2060 2064 1.0 53.86

dihedral 2053 2060 2064 2050 1.0 -54.78

dihedral 2060 2064 2050 2052 1.0 58.51

dihedral 2064 2050 2052 2048 1.0 -62.73

but after minimization the run is not going with saying an error

Reason: FATAL ERROR: Setting parameter extrabonds from script failed!

Fatal error on PE 2> FATAL ERROR: Setting parameter extrabonds from script
failed!

Could someone let me know what the error is where I am doing a mistake, I
have also a question regarding the k spring constant value, how to specify
1.0 or 2.0

thanks

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