Re: [gmx-users] topologies from autodock

[Justin A. Lemkul]

KAUSHIK H.S. wrote:
hi, 

I have got a docked complex (ligand and protein) in pdb format from 
autodock.  I am unable to generate topoloy file for the docked complex, 
(but, I can do the same for protein and ligand separately).  

Can any of you please guide me in generating topoloy file for the docked 
complex.  Let me be more candid, "I am novice" in this field.


Generally, if this is the case, the answer can be found in one of the following 
sources:


1. The list archive
2. The wiki site
3. Google

In your case, you can quickly use Option #3 to locate John Kerrigan's 
enzyme-ligand tutorial.


-Justin



regards,

Kaushik 




Bring your gang together. Do your thing. Find your favourite Yahoo! 
Group. 
 






___
gmx-users mailing listgmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to [EMAIL PROTECTED]

Can't post? Read http://www.gromacs.org/mailing_lists/users.php


--


Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin


___
gmx-users mailing listgmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to [EMAIL PROTECTED]

Can't post? Read http://www.gromacs.org/mailing_lists/users.php

[gmx-users] topologies from autodock

[KAUSHIK H.S.]

hi, I have got a docked complex (ligand and protein) in pdb format from 
autodock.  I am unable to generate topoloy file for the docked complex, (but, I 
can do the same for protein and ligand separately).  Can any of you please 
guide me in generating topoloy file for the docked complex..  Let me be more 
candid, "I am novice" in this field.regards,Kaushik 


  From Chandigarh to Chennai - find friends all over India. Go to 
http://in.promos.yahoo.com/groups/citygroups/___
gmx-users mailing listgmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php