[gmx-users] position restrained energy minimization

[Jayant James Jayasundar]

Hello gmx-users!
1. Is it possible to perform position restrained energy minimisation?
2.  If so what are the parameter that I need to incorporate in the em.mdp file. By just changing the 
define  =  -DFLEX_SPC in the em.mdp to 
define  = -DPOSRES  will it mean that I am now entering into position restrained energy minimisation?
Thanks
Jayant


Jayasundar Jayant James
Postdoc,
Department of Veterinary and Comparative Anatomy, Pharmacology and Physiology(VCAPP), Washington state university, Pullman 99164-6520, USA.
http://www.chick.com/reading/tracts/0001/0001_01.asp
Phone office:335-5937, Cell:1-509-432-5790
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20060519/181b1d4a/attachment.html>