[Dock-fans] Help: is this an error?

[Scott Brozell]

Hi,

Thanks for the report GuanXin.
This has been corrrected as well as other errors in the
Hawkins GB/SA Score Parameters section:
http://dock.compbio.ucsf.edu/DOCK_6/dock6_manual.htm#HawkinsGBSA
Note that the tests have examples of correct usage:
install/test/hawkins_gbsa_score

Scott

On Mon, 16 Mar 2009, CAI Qixu wrote:

> The correct one is like this:
>      gbsa_hawkins_score_vdw_att_exp [6] (int):
>     gbsa_hawkins_score_vdw_*rep*_exp [12] (int):
> 
> On Mon, Mar 16, 2009 at 11:08 AM, thirsty <thirstymail at gmail.com> wrote:
> 
> >   I found this from dock 6.2 user manual:
> >
> > "gbsa_hawkins_score_cont_vdw_and_es [yes] (yes, no):
> > #Flag to determine whether vdw and es values will be
> > #calculated continuously or from a grid
> > (if gbsa_hawkins_score_cont_vdw_and_es = yes)
> >
> > gbsa_hawkins_score_vdw_att_exp [6] (int):
> > #VDW Lennard-Jones potential attractive exponent
> > gbsa_hawkins_score_vdw_att_exp [12] (int):
> > #VDW Lennard-Jones potential repulsive exponent"
> > The last line, is same as the upper, why? is this an error in "ATT" ?
> >
> > GuanXin
> > 2009.3.16