From: char_at_ks.uiuc.edu
Date: Thu Nov 15 2007 - 21:10:29 CST
------Original Message------
To: Ilya Chorny
To: namd-l_at_ks.uiuc.edu
Sent: Nov 15, 2007 9:06 PM
Subject: Re: namd-l: What is an IC table in the .inp files
Hi Ilya,
I should also add however that psfgen may take advantage of the ICs to establish connectivities, impropers, etc.
Chris
------Original Message------
From: Ilya Chorny
Sender:
To: NAMD list
Sent: Nov 15, 2007 7:02 PM
Subject: namd-l: What is an IC table in the .inp files
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
-- Ilya Chorny Ph.D.
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