Re: AMBER: Poisson Boltzmann dynamics error

From: David A. Case <case.scripps.edu>
Date: Thu, 10 Feb 2005 08:57:51 -0800

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

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Thu Feb 10 2005 - 17:53:00 PST
Custom Search