From: Chris Harrison (charris5_at_gmail.com)
Date: Fri Nov 19 2010 - 06:41:57 CST
Dear Matziast,
First, I assume you meant atom types for C and O used to describe a C=O moiety.
Second, you need to provide what forcefield is being used and more
importantly what the problem is that you are experiencing. Your
description only mentions running a minimization which you report was
ok.
Best,
Chris
On Fri, Nov 19, 2010 at 6:21 AM, <matziast_at_med.uth.gr> wrote:
> Hi,
> I would like to ask you the following: I parameterized a novel residue and one
> of the atom types I put was C=O, I ran minimization and all was ok but I am not
> sure if the namd can reads all the name or if it reads only C, I don't know, if
> anyone knows I would appreciate any help.
> Thank you in advance.
>
>
-- Chris Harrison, Ph.D. Theoretical and Computational Biophysics Group NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801 char_at_ks.uiuc.edu Voice: 217-244-1733 http://www.ks.uiuc.edu/~char Fax: 217-244-6078
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:56:22 CST