[gmx-users] Simulated annealing

[Albert Sun]

How can we use other molecules to replace protein and solvent when using genbox?
could we use other .gro files to replace protein.gro and spc216.gro ?    
 
 
 
 
   
Osmany Guirola Cruz <osmany.guirola at cigb.edu.cu> wrote:
Thanks Xaviier


Xavier Periole wrote:
 


1) How can i use genbox to insert extramolecules of solvent?


 
a simple genbox -h gives you the answer. But basically something like :
 
genbox -cp protein.gro -cs spc216.gro -nmol <number of molecules you want> 
            -try ......
 
take a look.
 
XAvier
 
 




---------------------------------
Do you Yahoo!?
Yahoo! SiteBuilder - Free, easy-to-use web site design software
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20030731/ed191b80/attachment.html>