Hi all,
i try to run simulated annealing with a n- and c-terminal protected peptide. I managed to get the .psf file but the template generation is aborting with the following error. %CODIMP-ERR: missing improper parameters %%%%%%%%%%%%%%%%%%%%% improper energy constant missing. target improper value missing. periodicity missing. ATOM1: SEGId=" ", RESId="143 ", NAME="HA1 ", CHEMical="HA " ATOM2: SEGId=" ", RESId="143 ", NAME="HA2 ", CHEMical="HA " ATOM3: SEGId=" ", RESId="143 ", NAME="C ", CHEMical="C " ATOM4: SEGId=" ", RESId="143 ", NAME="HA3 ", CHEMical="HA " %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %CODIMP-ERR: program will be aborted. So i guess these data are missing in some file. This is the ACE group. I did see it listed in the protein.top file, so why do the parameter miss ? Cheers -- GRATIS! Movie-FLAT mit ?ber 300 Videos. Jetzt freischalten unter http://portal.gmx.net/de/go/maxdome
