remarks file toppar/pseudo.top remarks topology for pseudo atoms. Use in conjunction with toppar/pseudo.param remarks Note: contains a residue that defines pseudo atoms and a patch file for connections with CA atoms remarks Only a bond between the pseudo atom and CA is created, no angle terms are created. remarks Thus, it is recommended to only use this pseudo atom residue if it is part of a rigid body remarks or if torsion angle dynamics is used. If this pseudo atom residue is used in conjunction with remarks Cartesian minimization or molecular dynamics, the angles between pseudo-atom, CA, and atoms bonded remarks to CA will be distorted. set message ? end eval ($old_message=$result) set echo ? end eval ($old_echo=$result) set message=off echo=off end checkversion 1.3 !------------------------------------------------------------------------ mass PSDO 1. !------------------------------------------------------------------------ RESIdue PSO GROUp ATOM PSDO TYPE=PSDO CHARge=0. END END !------------------------------------------------------------------------ PRESidue PSCA ADD BOND -CA +PSDO END !------------------------------------------------------------------------ set message=$old_message echo=$old_echo end