From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Wed Dec 12 2012 - 14:53:19 CST
You can use it in a relatively straightforward manner. Just a couple lines have to be commented out of the toppar file for NAMD to not choke. You'll see when you try it!
On Dec 12, 2012, at 2:26 PM, Gianluca Interlandi wrote:
> Hi,
>
> Can the current version of NAMD be used together with the new CHARMM36 force field? The parameter files are "top_all36_prot.rtf" and "par_all36_prot.prm". However, topology and parameters for water and ions are now in a CHARMM stream file "toppar_water_ions.str". How can I use this in NAMD?
>
> Thanks!
>
> Gianluca
>
> -----------------------------------------------------
> Gianluca Interlandi, PhD gianluca_at_u.washington.edu
> +1 (206) 685 4435
> http://artemide.bioeng.washington.edu/
>
> Research Scientist at the Department of Bioengineering
> at the University of Washington, Seattle WA U.S.A.
> -----------------------------------------------------
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