AMBER Archive (2009)

Subject: Re: [AMBER] Problem with Nmode

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Wed May 20 2009 - 13:02:44 CDT

On Tue, May 19, 2009, Kshatresh Dutta Dubey wrote:
>
> At line 34 of file _getcor.f
> Fortran runtime error: End of file
> /usr/local/amber10/exe/nmode -O -i nmode_lig.in -o nmode_lig.1.out -c
> sanmin_lig.1.restrt -p ../STI.top not running properly

A guess: you have told nmode that a binary form of coordinates is being used,
but the sanmin_lig.1.restrt file may be formatted.

General advice: Be sure you have installed bugfix.17, make sure the test
cases work, and compare your inputs to those in the test cases.

[If there is anyone on the list willing to really check out what the mm_pbsa
scripts are doing, and to improve them, that would be welcome. We've been
getting lots of user complaints.]

...dac

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