VMD-L Mailing List

From: Jeffrey Potoff (jpotoffx_at_gmail.com)
Date: Tue Dec 27 2011 - 13:55:04 CST

Perhaps not the answer you want, but if you really want to get
parameters ( and charges ) that are consistent with CHARMM you should do
what the CHARMM developers do.

http://mackerell.umaryland.edu/~kenno/tutorial/
<http://mackerell.umaryland.edu/%7Ekenno/tutorial/>

Regards,
      Jeff

On 12/27/2011 9:24 AM, Adrian JasiƄski wrote:
> Hi all
>
> In menu in paratool in VMD is window called CHARMM style charges. I
> have found some information from 2009 that this is not completed yet.
> How about new verision of vmd 1.9?
> Is it completed or not?
>
> If it is how I should prepare pdb file with system and water?
>
> Is new version of paratool user guide available?
>
> http://www.ks.uiuc.edu/Research/vmd/plugins/paratool/usersguide.html
>
>
> And my last question.
> Is there any tutorial with example input files for GAUSSIAN or GAMESS
> showing how to manage with CHARMM type charges.
>
> 

-- 
=================================================================
Jeffrey J. Potoff			  jpotoff_at_wayne.edu
Associate Professor			  Wayne State University		
Department of Chemical Engineering and Materials Science
5050 Anthony Wayne Dr			  Phone:(313)577-9357		
Detroit, MI 48202  	             Fax:  (313)578-5815
http://potoff1.eng.wayne.edu
=================================================================