[gmx-users] combine position restraints and NPT equlibration in membrane

Mahnam mahnam at ibb.ut.ac.ir
Thu Jun 10 10:03:03 CEST 2010

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God We Trust
Dear GMX users
 We would like to perform  MD simulation of a protein 
in attendance of biomembrane (POPE). On the basis of Kalp tutorial, can we 
combine position restraints and NPT  equlibration in one phase?. We 
attached NPT.mdp in this mail.  Please guide us.  
 Many thanks in 
advance for your help and your reply.
 Yours truly 
 Karim Mahnam
Institute of  Biochemistry  and  Biophysics (IBB)
Tehran University 
 P.O.box 13145-1384
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