I have a .top file looking like this: #include "spc.itp"
#include "ffgmx.itp" #include "lipid.itp" #define POSRES_LIPID #include "mylipid.itp" #include "dppc.itp" [ system ] test system [ molecules ] ; Compound #mols DX5 200 DPPC 200 The #define POSRES_LIPID is used to determine whether to include position restraints in mylipid.itp. However, when I try to run grompp on this (with everything the exact same as before I included the position restraints), I get the error "Topology include file "lipid_posre.itp" not found". If I take out all the position restraints, it works fine and grompp does what is expected. What's going on? I never asked to include this file, I don't even know what lipid_posre.itp is and google has no results on it. I tried adding #include "lipid_posre.itp" at the top of the .top file, just to see what happened, but I got the same error. How am I supposed to add position restraints? The GROMACS manual just says to add them and doesn't mention additional includes, and I added them in the same way that the manual said to. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
