Hello,
I have noticed that gromacs 4.0.2 does not follow the gromacs 3.3.1
procedure for treating the directory in nested includes. Basically, if a
.top includes file A and file A includes file B, then it was previously
possible to put file B in the same directory as file A and to omit a
full directory structure call in the #include "./B" call inside file A.
I note that there is a simple solution, which is to use a full directory
structure or include it in GMXLIB.
This is therefore not a question, but since this caused some delays for
a colleague I thought that we would post the problem here.
I have put an example here since my previous explanation is confusing.
$cat my.top
#include "/my/dir/to/file/ffuserdefined.itp"
... etc ...
$cat ffuserdefined.itp
#include "./ffuserdefinednb.itp"
#include "./ffuserdefinedbon.itp"
... etc ...
$ls /my/dir/to/file/
ffuserdefined.itp ffuserdefinednb.itp ffuserdefinedbon.itp
##########
Where gromacs 3.3.1 will generate a proper tpr file, but gromacs 4.0.2
errors out on:
Fatal error:
Library file ./ffuserdefinednb.itp not found in current dir nor in your
GMXLIB path.
Chris.
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
