The Molecular Graphics Laboratory Forum

AutoDock, AutoLigand, MGLTools, Vina, PyRx and more.
It is currently Sun Jul 22, 2018 8:21 pm

All times are UTC




Post new topic Reply to topic  [ 1 post ] 
Author Message
PostPosted: Mon Jun 11, 2012 2:04 pm 
Offline
Millimolar User
Millimolar User
User avatar

Joined: Mon Jun 11, 2012 1:50 pm
Posts: 1
Hi

Im new in Autodock vina, i have been try to run vina using flexible residues and non flexibles residues but when run vina on the console get the following error:

"Parse error on line 2 in file "Proteinrigid.pdbqt": ATOM syntax incorrect: "0 0."
is not a valid charge"

With ADTools i deleted the non polars hydrogens and i have followed the autodock4 guide to make flexible resudues.

do i need to change the charges values ? if if I'm right how i can change it?

Thanks

Daniel


Top
 Profile  
 
Display posts from previous:  Sort by  
Post new topic Reply to topic  [ 1 post ] 

All times are UTC


Who is online

Users browsing this forum: Bing [Bot] and 4 guests


You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum

Search for:
Jump to:  
cron
POWERED_BY
Translated by MaĆ«l Soucaze © 2009 phpBB.fr