Dear Sir, Thanks sir. I am using the ffG43a1 force field. Mine is an unusual unusual peptide and got the necessary files from prodrg server. and also pasting the top file. Please tell where , m making the mistake.
The Force Fields to be included #include "ffG43a1.itp" ; Include nmab2 topology #include "nmab2.itp" ; Include water topology #include "spc.itp" ; Include position restraint file #ifdef POSRES #include "posre.itp" #endif #ifdef POSRE_WATER ; Position Restraint for each water oxygen [ position_restraints ] ; i funct fcx fcy fcz 1 1 1000 1000 1000 #endif [ system ] ; Name DRG in water [ molecules ] ; Compound #mols DRG 1 SOL 397 Thanks Sir. Radhika -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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
