NAMD: error messages

From: Sergio Anis (sergioanis_at_ispwest.com)
Date: Tue Oct 04 2005 - 06:21:31 CDT

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hi everyone,

i'm trying to run namd in a protein in complex with a synthetic group but i got the following error message:

'multiplicity of parameters for dihedrals NPH FE NPH CPA of 1 exeeded'

so, i removed the entry X FE NPH X from the parameter file, and i got the message:

'can't find dihedral parameter for NPH FE NPH CPA'

so, i added specifically NPH FE NPH CPA and got the first message again.

does anyone have an idea of what can be the problem?

thanks for your help

Sergio

PS: i'm using par_all22_prot.inp to which i added the parameters for the synthetic group. i even try to add the parameters (for the synthetic group) only if namd asks for them.

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