Re: [AMBER] protein in popc bilayer simulation

From: Ross Walker <>
Date: Wed, 25 Sep 2013 20:19:40 -0700

What are the skinnb errors you are seeing? - Is this a GPU simulation
which is quiting? If so that is entirely related to the box size and the
value of taup is not going to affect it - your system should not be
oscillating in size enough to cause skinnb failure on the GPU after it has
equilibrated. Note gamma_ten should NOT be zero for constant surface
tension. Something on the order of 15.0 or so is probably better here.

My guess would be that this is your problem and not the value of taup.

All the best

On 9/25/13 7:46 PM, "Wang Chern Hoe (Dr)" <> wrote:

>I am running a simulation with the following parameters
>ntp=3, taup=20, cut=10, csurften=3, gamma_ten=0.0, ninterface=2
>I wish to understand if it is alright to increase taup to 100 or even
>1000 to make the simulation run without skinnb problems.
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Received on Wed Sep 25 2013 - 20:30:02 PDT
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