Dear Atanu,
SInce I do not see the output I speculate that you use too many mpi processes
during the equilibration. with a box of that size i expect somewhere between
8-16 MPI procesees.
of course can be other causes.
Regards,
Alin
On Monday, 14 August 2017 11:00:08 BST you wrote:
> Hi,
> I am new to DL POLY.
> I am doing MD simulation of 1030 SPC/E water.While running the npt to get
> proper box length I am getting the error *"Box size too small for link
> cell"*.But I started with 50 angstrom boxlength initially while the
> calculated box length is around 32 A.This error is showing when REVCON
> shows box length 48 A.What could be the probable reasons?
> I am attaching the CONTROL and FIELD FILE here.Please help.
--
Without Questions there are no Answers!
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Dr. Alin Marin ELENA
http://alin.elena.space/
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