Xiaolin Chuang wrote:
>
>
> Other question are that;
> - What program can be used to analyze RDF (radius distribution
> function) of water and Na+ ions? Can ptraj do this? if yes,
> what command?
>
CARNAL/rdis can do RDF's. Also, I suggest you take a look at
the following URL:
http://www-ibmc.u-strasbg.fr/upr9002/westhof/
Hope it helps,
Elsa
.-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-.
/|||X|||\ /|||X|||\ /|||X|||\ /|||X|||\ /|||X|||\ /|||X|||\
X|||/ \|||X|||/ \|||X|||/ \|||X|||/ \|||X|||/ \|||X|||/ \|||X
`-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-'
"There is no gene for the human spirit"
in Gattaca
.-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-. .-.
X|||\ /|||X|||\ /|||X|||\ /|||X|||\ /|||X|||\ /|||X|||\ /|||X
\|||X|||/ \|||X|||/ \|||X|||/ \|||X|||/ \|||X|||/ \|||X|||/
`-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-' `-'
Elsa F. Sousa Henriques e-mail: eshenriq_at_fc.up.pt
Dept. Quimica, FCUP phone: +351-22-6082827
Rua do Campo Alegre, 687 fax: +351-22-6082959
4169-007 PORTO
Received on Fri Aug 24 2001 - 11:38:05 PDT