remarks file toppar/pseudo.param remarks parameters for pseudo atoms remarks remarks Note: the equilibrium bond lengths for connections to CA atoms remarks are taken from the current coordinates remarks using the "learn" statement set message ? end eval ($old_message=$result) set echo ? end eval ($old_echo=$result) set message=off echo=off end checkversion 1.3 !------------------------------------------------------------------------ learn initiate selection=( name PSDO or name CA ) mode=statistics end learn accumulate end learn terminate end bond (name PSDO ) (name CA) 100. TOKEN !------------------------------------------------------------------------ nonbonded (name PSDO) 1. 1. 1. 1. !------------------------------------------------------------------------ set message=$old_message echo=$old_echo end