From: Kenno Vanommeslaeghe (kvanomme_at_rx.umaryland.edu)
Date: Mon May 26 2014 - 16:42:29 CDT
If, as you write, you're using Momany and Rone's CHARMm (small m) force
field that is commercially distributed by Accelrys, then they are probably
the only people who can help you.
If you use the academic CHARMM (big M) force field (which is completely
different), the improper dihedrals must have been generated by mistake.
CHARMM doesn't have/require impropers on aromatic carbons because the
out-of-plane potential is described correctly by the angle and (proper)
dihedral terms alone.
On 05/24/2014 11:50 AM, Z wrote:
> Dear all,
> I have installed VMD1.9.1 version and now creat Carbon Nanostructure
> Builder Plugin. I am using CHARMm parameter file to run in NAMD 2.8.
> However, I have a problem while running these simualtions in NAMD.
> "------------- Processor 0 Exiting: Called CmiAbort ------------
> Reason: FATAL ERROR: UNABLE TO FIND IMPROPER PARAMETERS FOR CA CA CA CA
> (ATOMS 1 31 32 33)
> Charm++ fatal error:
> FATAL ERROR: UNABLE TO FIND IMPROPER PARAMETERS FOR CA CA CA CA (ATOMS 1
> 31 32 33)
> I do not how to slove this problem.What shoud I do?
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