[gmx-users] (no subject)

Seibold, Stephen Seibold79 at stmary.edu
Fri Jul 15 22:56:23 CEST 2011

I am sorry if this is a simple question, but I have spent the better part of the day attempting to figure it out using gromacs mailing list..etc..

Here is the problem. When I attempt to run genbox my output produces the error that "spc216.gro cannot be found in your GMXLIB path. Here is what I've done. My bashrc_profile has the following

export LD_LIBRARY_PATH=/usr/local/lib

export GMXLIB=/usr/local/gromacs/share/gromacs/top

source /usr/local/gromacs/bin/GMXRC


I have checked and "spc216.gro" is in /usr/local/gromacs/share/gromacs/top

The ff is found by pdb2gmx which is in the same location

Can someone please help me?
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