[gmx-users] How to perform simulation between initial and final structures

ananyachatterjee ananyachatterjee at iiserkol.ac.in
Tue Feb 24 15:23:42 CET 2015

 Dear All,

 I am working in a GTPase protein and I have two PDB structures of my 
 protein in GTP-bound and GDP-bound state which have two different 
 conformations. Now I want to perform simulation in between the 
 structures  to see how the conformational change is taking place. So is 
 it possible to perform simulation keeping the initial and the final 
 structure fixed. Please kindly provide me the procedure.

 Thank you in advance,
 Ananya Chatterjee,
 Senior Research Fellow (SRF),
 Department of biological Science,

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