Seibold, Stephen wrote:
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
A file called "bashrc_profile" is not going to do anything unless you explicitly
source it yourself. Default files that are read are called .bashrc or
.bash_profile.
-Justin
..
...
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?
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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