Re: What is an IC table in the .inp files

From: Chris Harrison (char_at_ks.uiuc.edu)
Date: Thu Nov 15 2007 - 20:53:43 CST

Hi Ilya,

IC refers to the internal coordinate table (as opposed to cartesian) and
is used by CHARMM. As far as I am aware, NAMD does not utilize this due
to the requirements of its spatial decomposition method.

Chris

Ilya Chorny wrote:
> Hi All,
>
> I am working on porting a third party lipid forcefield to NAMD format.
> When looking at the POPE forcefield in CHARMM27 (all_27***) there is a
> something called an IC table which looks like a definition of dihedral
> potentials. Is that correct? Also what is the relationship between the
> .par and .inp files. Does NAMD default to the definition in the .inp
> file prior to looking up up the values in the .par file. For example
> if the IC table is the definition of the dihedral potential would namd
> use those definitions and ignore what is in the .par file?
>
> Thanks,
>
> Ilya
>
>
>

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