[gmx-users] how to make the different displacement of ligand around protein?

[Justin A. Lemkul]

Chih-Ying Lin wrote:
> 
> 
> Hi
> how to make the different and specific displacement of ligand around 
> protein with GROMACS?
> 

Use editconf: place the protein and ligand in a box of the same dimensions. 
Specify the center for each molecule, and concatenate the ligand and protein 
.gro files.

-Justin

> i only know how to make the ligand randomly displaced around protein.
> 
> 
> Thank you
> Lin
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at 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 gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================