Hi Justin, Thanx for the suggestion. This is how my topology looks like with the strong position restraint included for the protein:
; Include forcefield parameters #include "gromos53a6.ff/forcefield.itp" ; Include chain topologies #include "complex6_Protein_chain_X.itp" #include "complex6_Protein_chain_Y.itp" ; Include Position restraint file #ifdef POSRES #include "posre.itp" #endif #ifdef STRONG_POSRES #include "strong_posre.itp" #endif ; Include chain topology for DMPC #include "dmpc.itp" ; Include water topology #include "gromos53a6.ff/spc.itp" #ifdef POSRES_WATER ; Position restraint for each water oxygen [ position_restraints ] ; i funct fcx fcy fcz 1 1 1000 1000 1000 #endif ; Include topology for ions #include "gromos53a6.ff/ions.itp" [ system ] ; Name Protein [ molecules ] ; Compound #mols Protein_chain_X 1 Protein_chain_Y 1 DMPC 125 I think the tutorial asks to include a section in the topology similar to this?! ______________________________________________________________________ The information in this email is confidential and intended solely for the addressee. You must not disclose, forward, print or use it without the permission of the sender. ______________________________________________________________________ -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
