On Thu, Oct 21, 2010 at 14:28, Justin A. Lemkul <[email protected]> wrote: > My guess is that this is a matter of how the force field was #included in > the .top file. For instance: > > #include "my.ff/forcefield.itp" > > will match $GMXLIB first, but > > #include "./my.ff/forcefield.itp" > > will match the working directory first. Is this perhaps the issue you're > finding? Other simple #include statements (like #include "ions.itp", etc) > still use the old order of preference, but subdirectories make that a bit > more difficult.
This sounds wrong. The code in 4.5.1 always checks (or at least should check) the directory of the including file first, and only if the file is not found there, it continues the search in other locations. Indeed, I did a simple test with gmxdump -p, and could not reproduce this behavior; the file in a subdirectory of the current directory was properly included also for the first syntax. Can you make a simple test case that actually manifests such a behavior and upload a bugzilla? Does it only occur with grompp, or also with gmxdump -p (the latter does not support setting -I or -D, but should otherwise behave identically)? - Teemu -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
