I actually have another problem. When doing my grompp for nvt equilibration, I egt the error, Topology include file "posre.itp" not found. In my topology file I wrote this:
;Include the force field #include "oplsaa.ff/forcefield.itp" ; Include chain topologies #include "topol_1AKI.itp" #include "topol_2CDS.itp" ; Include Position restraint file #ifdef POSRES #include "1AKI_posre.itp" #include "2CDS_posre.itp" #endif If the problem is that I need to strictly make it #include "posre.itp", then how do I combine the two posre.itp files together? chinnu -- View this message in context: http://gromacs.5086.x6.nabble.com/topology-and-coordinate-file-not-matching-after-grompp-tp5010221p5010256.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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
