[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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