Re: AMBER: MD problem!!

From: <>
Date: Thu, 18 Sep 2003 17:21:22 -0400

that's odd.
I am unable to try the simulation myself. All my machines are down due to
Isabel. But it sounded a bit odd to me. I somehow believe simulation on water
should be possible :).

It crashed with the error message you mentioned before?
By the way, you should expect to observe 10-20% reduction in volume for this
small system after you switch to NPT.


Quoting Pradipta Bandyopadhyay <>:

> However, NPT simulation from that crahses after 0.24 picosecond.

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Received on Thu Sep 18 2003 - 22:53:02 PDT
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