AMBER Archive (2000)

Subject: (no subject)

From: Raja Swamynathan (kuchchi_at_yahoo.com)
Date: Mon Nov 20 2000 - 09:30:03 CST


Hi amber users
I am Raja graduate student working on molecular
simulations.At present i am working on" NMR refinement
in explicit water solvent". (For an RNA duplex str)
 
In the first stage (ie) Minimize water and ions
i am facing the problem like this.

The job is running and the job stops in between
abruptly because of linmin failure. I have used the
input as given in the amber6 manual.

I don't know what is that problem.is it due to short
contacts in the model. i have given shake option also.

Thanks
Raja

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