AMBER Archive (2005)

Subject: Re: AMBER: Poisson Boltzmann dynamics error

From: David A. Case (case_at_scripps.edu)
Date: Thu Feb 10 2005 - 10:57:51 CST


On Thu, Feb 10, 2005, Rachel Burdge wrote:

> When I add "cutres" to the input file to increase it from
> the default of 12 to a value of 15, the run immediately crashes and I
> get the following error:
>
> PGFIO-F-239/namelist read/unit=5/entity name is not member of group.
> File name = initialMD.in formatted, sequential access record = 11
> In source file _mdread.f, at line number 1088

The "cutres" variable is in the &pb namelist, not the &cntrl namelist.
See p. 140 of the Users' Manual.

...dac

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