[gmx-users] Replacing molecules in .gro coordinate file

Waipot Ngamsaad waipot.ngamsaad at ymail.com
Mon Nov 24 14:58:38 CET 2008


Hello Guys,

I am a newbie for GROMACS and MD also. I apologize if this is a stupid question :).

Supposed I have a .gro file of 38 molecules of A which are already in equilibrated conformations. Now I want to transform 15 molecules of A into B therefore I will have the binary mixture of A/B with 13:15 molar ratio in the final structure. How can I do this? Any suggestions will be appreciated.

Have a great day 
Waipot




      
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20081124/e9e84efd/attachment.html>


More information about the gromacs.org_gmx-users mailing list