[gmx-users] problem in running gromacs

Mark Abraham Mark.Abraham at anu.edu.au
Sat Feb 21 14:40:59 CET 2009

nitu sharma wrote:
> Dear all,
>                     Thanks for solving my problem  but again I have one 
> more problem  when I put the pdb2gmx command it shows error like this 
> "Program pdb2gmx, VERSION 3.3.2
> Source code file: futil.c, line: 345
> File input/output error:
> eiwit.pdb                              
>  I am downloading version 4.0.3  but why it shows 3.3.2 and what is the 

Your environment still has your old installation of 3.3.2 in the PATH. 
See http://wiki.gromacs.org/index.php/Installation.

> meaning of "File input/output error eiwit.pdb "

You're doing something wrong, but since you haven't told us your command 
line, I'm not going to guess what you've done wrong.


More information about the gromacs.org_gmx-users mailing list