[gmx-users] x2top & GMXLIB

[Christopher Stiles]

I have been having an odd problem that I can not seem to figure out.

When running x2top in a folder within a folder in my home dir it works fine
but when I go one folder deeper its gives the following error:

##################################

Program x2top, VERSION 3.3.1

Source code file: futil.c, line: 537

 

Fatal error:

Library file FF.dat not found in current dir nor in default directories.

(You can set the directories to search with the GMXLIB path variable)

##################################

When it works one dir in it tells me it finds that file in the following
location:

Opening library file /usr/local/gromacs/share/gromacs/top/FF.dat

 

To make this a little clearer when I run it in:

/summer07/SWNT_6_6_144/                 ***it runs

/summer07/SWNT_6_6_144/test            ***it gives that fatal error

***each of these folders are in my home dir

 

NOTE I use the bash shell and I have the following line in my ".profile"
file:

export PATH=/usr/local/gromacs/bin:$PATH

 

am I missing something? Or is it just something funny thing with the app?

 

Thank you,

~Christopher Stiles

College of Nanoscale Science and Engineering (CNSE)

State University of New York, Albany, New York 12203, USA

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