[gmx-users] position restrained energy minimization

Jayant James Jayasundar jayant_jacques at rediffmail.com
Fri May 19 23:16:43 CEST 2006

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?

Jayasundar Jayant James
Department of Veterinary and Comparative Anatomy, Pharmacology and Physiology(VCAPP), Washington state university, Pullman 99164-6520, USA.
Phone office:335-5937, Cell:1-509-432-5790
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