Hi, everyone,
I wonder how to fixed several residues in amber simulations. The residues fixed is discrete in sequence. I know you can fixed chain by add the follows:
Keep chain fixed
5.0
RES 1 111
END
So, How about the discrete residues?
Plus, I found my fixed simulation is not exactly what I need. Is it reasonable to fixed distance at the beginning of the simulation? And is it reasonable to fixed distance for a long time simulation (50ns, should I free the system more early)?
Finally, a problem just out of the topic. I cannot receive the email or the reply of dear David A Case. Thanks for his advice in the previous two questions. It is very strange and I can receive others reply.
Best Wishes.
Chen.
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Received on Mon Sep 05 2016 - 20:00:02 PDT
