[gmx-users] Multiple MD simulation

ISHRAT JAHAN jishrat17 at gmail.com
Tue Apr 23 08:55:55 CEST 2019

Dear all,
I have done the long 200ns MD simulation of protein in water. I have
received a comment from the reviewer that for the convergence of the
results I have to perform multiple simulations using different initial
conformations. Can anyone tell me the criteria for taking the different
initial conformations of protein and how to check the convergence of the
results? Any help regarding this will be highly appreciated.
Thanks in advance
Ishrat Jahan
Research Scholar
Department Of Chemistry
A.M.U Aligarh

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