From: Sandhyaa Subramanian (sandysubram_at_yahoo.com)
Date: Wed Sep 03 2014 - 02:34:06 CDT
Thanks a lot Tristan Croll. Yes I did realize that I should have minimized the structure before starting the main protocol as mine is a theoretical
protein. Now that I have minimized I should hopefully not face any problem.
I have another question (since I am fairly new to the field of MD
simulations) - What would be the ideal number of steps for minimisation, equilibration and MD run esp. for a theoretical protein just obtained
by homology modelling?
Thank you once again.
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