Re: problem with NVT using TIP4P

From: muniyamuthu.raviprasad_at_ndsu.edu
Date: Tue Apr 06 2010 - 11:50:49 CDT

Hi

I think your time step is too large to calculate the forces

See NAMD Wiki for more

Thanks
Ravi

> Dear NAMD users,
>
> I am running NVT simulation with TIP4P water model as soon
> as minimization is finished my simulations is crashed with the following
> error
>
> ERROR: Atom 48 velocity is inf inf inf (limit is 12000)
> ERROR: Atom 96 velocity is -inf -inf -inf (limit is 12000)
> ERROR: Atom 348 velocity is inf inf inf (limit is 12000)
> ERROR: Atom 352 velocity is -inf inf -inf (limit is 12000)
>
> can anybody help me why i am getting this error.
>
> Thanks in advance
> Srinivas.
>
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> *********************************************
> J. Srinivasa Rao
> Post-doctoral Research Associate
> C/o Prof. Luis R Cruz Cruz
> Computational Biophysics Group
> Department of Physics
> Drexel University
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> Philadelphia, PA 19104, USA.
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