Re: NAMD and new sugar parameter set

From: Rogan Carr (rogan_at_ks.uiuc.edu)
Date: Mon Apr 20 2009 - 14:17:06 CDT

Hi Gianluca,

I don't think it will be a problem as long as you use the proper PSF
and parameter files. NAMD doesn't know atom types -- it will match
the names in the coordinate file to those in the PSF and the parameter
file.

Cheers,
Rogan

On Apr 20, 2009, at 12:42 AM, Gianluca Interlandi wrote:

> Is it possible to use NAMD 2.6 (or 2.7b1?) to simulate a system
> containing alpha-D-mannose with the new McKerrel's sugar parameter
> set top_all35_sugar.inp?
>
> My worry is that NAND will not recognize the longer atom types, e.g.,
>
> ATOM C1 CC3162
>
> Thanks,
>
> Gianluca
>
> -----------------------------------------------------
> Gianluca Interlandi, PhD gianluca_at_u.washington.edu
> +1 (206) 685 4435
> +1 (206) 714 4303
> http://artemide.bioeng.washington.edu/
>
> Postdoc at the Department of Bioengineering
> at the University of Washington, Seattle WA U.S.A.
> -----------------------------------------------------

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:52:38 CST