From: George Madalin Giambasu (giambasu_at_gmail.com)
Date: Sun May 27 2007 - 19:51:35 CDT
There may be another possibility. To use amber generated topologies and
structures using leap program with glycam parameters.
MG^2
On 5/27/07, Aaron Oakley <oakley_at_rsc.anu.edu.au> wrote:
>
>
> 1-Currently the best one for use with CHARMM-protein
> is the CSFF forcefield:
> http://people.cs.uct.ac.za/~mkuttel/downloads.html
>
> 2-To build carbohydrates in psfgen the residues will have
> to be aliased or renamed to the CSFF convention. (Is TRE
> trehalose? If so, I dont think there is a 1-1 linkage patch in
> CSFF).
>
> Aaron++
>
>
> On 28/05/2007, at 3:21 AM, Richard Casey wrote:
>
> Hello,
>
> We're using NAMD for protein-sugar simulations. When using psfgen, we get
> various error messages, often something like "unknown residue type TRE",
> etc. I think we need a topology file that includes sugars, is that
> correct? If so, does anyone know where to get such topology files?
>
> Regards,
> Richard Casey
>
>
>
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