ADL: Help!

manvendra pratap singh manav_phd2007 at yahoo.com
Thu Jan 17 04:45:28 PST 2008


hi ..deepti 
i m also using autodock for docking ,
can i know which charges you are giving to your molecules and what is the size of your molecules ?
i can suggest you some tips if you write what docking you are going to perform.

and you are in trouble ...therefor u can not say cheers OK
if some one will be able to solve ur problem ..then he will say cheers.....

myself Manav working on molecular modelling


----- Original Message ----
From: Deepthi Rajagopalan <deepthi.86 at gmail.com>
To: autodock at scripps.edu
Sent: Thursday, 17 January, 2008 12:12:52 PM
Subject: ADL: Help!

Hi!
I am learning to run autodock but I seem to encounter a problem when I am
try to load the ligand molecule. whenever I try to load the ligand molecule,
the charges get added and when I click the "ok" buttton, adt closes and i
get an error message in the terminal which says "segmentation fault". I am
using autodock4 with adt. this is the message I am getting:
deepthi at willow:~$ adt
setting PYTHONHOME environment
Run AutoDockTools from
/compute/deepthi/AUTODOCK/mgltools_i86Linux2_1.5.0/MGLToolsPckgs/AutoDockTools
MSMSLIB 1.4.4 started on willow
Copyright M.F. Sanner (March 2000)
Compilation flags
Segmentation fault

can you see why this is happening and what I should do?

cheers!
-- 
Regards,
Deepthi
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