On Wed, Feb 11, 2015 at 6:36 AM, Kshatresh Dutta Dubey <kshatresh.gmail.com>
wrote:
> Hi,
>
> I am using amber 14 GPU code for my simulation. Simulation crashes during
> the NPT equilibration with error periodic box dimension too large.
​What is the exact error message? Is it that the *changes* in the periodic
box dimensions are too large? Or that the dimensions themselves are too
large? Or that the cutoff is too large (i.e., the box has shrunk too much
for your cutoff+skinnb)?
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Feb 11 2015 - 04:30:03 PST
