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