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

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Jayasundar Jayant&nbsp;James <br>
Postdoc, <br>
Department of&nbsp;Veterinary and&nbsp;Comparative Anatomy,&nbsp;Pharmacology and&nbsp;Physiology(VCAPP), Washington&nbsp;state university,&nbsp;Pullman 99164-6520,&nbsp;USA. <br>
http://www.chick.com/reading/tracts/0001/0001_01.asp <br>
Phone office:335-5937,&nbsp;Cell:1-509-432-5790<br><br>
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