AMBER Archive (2001)

Subject: not using SHAKE

From: Eoin Galligan (paxeg_at_unix.ccc.nottingham.ac.uk)
Date: Wed Feb 07 2001 - 07:27:24 CST

Dear all
I'm am not using SHAKE in some dynamics due to previously encountered
errors. However, I now face v.high energies ie they read "****". I have
tried using shake on only h-bonds however without success. If shake is not
used are there any other flags that are required?

Regards, E.Galligan

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