I am not sure whether I understand you fully. How
about Ptraj distance?
Best regards.
Fenghui Fan
--- Xioling Chuang <xioling_c.hotmail.com> wrote:
> Dear All,
>
> To calculate RDF from DNA atoms to water (oxygen
> atom) using command
>
> radial filename 0.05 8.5 :WAT.O :1-20
> closest density 0.033456
>
> as I understood, PTRAJ will calculate RDF based on
> DNA surface. My question
> is that how to calculate the RDF based on center of
> mass of specific solute
> atoms (e.g. center of mass of only residue 1)?
> many thanks in advance for your suggestion.
>
> Regards,
> Xioling
>
>
_________________________________________________________________
> Express yourself instantly with MSN Messenger!
> Download today it's FREE!
>
http://messenger.msn.click-url.com/go/onm00200471ave/direct/01/
>
>
-----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to
> majordomo.scripps.edu
>
__________________________________________________
Do You Yahoo!?
Tired of spam? Yahoo! Mail has the best spam protection around
http://mail.yahoo.com
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Oct 18 2006 - 06:07:11 PDT
