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AMBER Archive (2001)Subject: shake tricks?
From: Peter Varnai (Peter.Varnai_at_ibpc.fr)
Dear AMBER users,
I am performing MD simulation on a solvated DNA
It seems that the shake iteration doesn't even start
Now, I don't really want to abandon shake and the 2 fs
Can I and should I persuade shake to reset this coordinate
Any suggestion would be welcome!
Thanks for your help.
Peter Varnai
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