[gmx-users] pdb2gmx error

shyamala iyer shyamala.iyer at gmail.com
Tue Mar 11 22:38:05 CET 2008


I have used gromacs simulations before for protein-small molecule. I
have not seen this following error previously.
All of a sudden, when I run pdb2gmx on my protein file, I get this
error below.  I did not make any chages to the way my machine is set
up or other gromacs related settings, so I am a bit confused about
this error.
Program pdb2gmx, VERSION 3.3.1
Source code file: futil.c, line: 537

Fatal error:
Library file ffgmx.rtp not found in current dir nor in default directories.
(You can set the directories to search with the GMXLIB path variable)
I would really appreciate it if someone could help me some information
as to what directories I would have to set to search with GMXLIB path
Also, any insights regarding why this particular error can occur when
pdb2gmx has worked error free before would be very helpful.


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