Re: [AMBER] hiii

From: David Case <>
Date: Sat, 4 Jan 2020 22:18:12 +0000

On Sat, Jan 04, 2020, ankita mehta wrote:

>my simulation run is stuck and my min.out is showing attached.

The default value for ntb is 1 (indicating a periodic system), but your
input coordinates are not for a periodic system. If you didn't set up a
box in the tleap script, then you need to set ntb=0 in your &cntrl


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Received on Sat Jan 04 2020 - 14:30:03 PST
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