{* adjustment of force constants fo the "parhcsdx.pro" force field to *} {* avoid blow-ups. *} {* location: *} {* ========= *} {* *after* reading the structure and the parameter files and *before* *} {* running minimization or dynamics. *} parameter bonds ( all ) ( all ) 1000 TOKEN angle ( all ) ( all ) ( all ) 500 TOKEN improper ( all ) ( all ) ( all ) (all ) 500 TOKEN TOKEN dihe ( chemical CH1E ) ( chemical C ) ( chemical N ) ( chemical CH1E ) 500.0 2 180.0 ! trans or cis PRO dihe ( chemical CH2E ) ( chemical C ) ( chemical N ) ( chemical CH1E ) 500.0 2 180.0 ! trans or cis PRO dihe (chemical CH2G ) ( chemical C ) ( chemical N ) ( chemical CH1E ) 500.0 2 180.0 ! trans or cis PRO dihe (all ) ( chemical C ) ( chemical NH1 ) ( all ) 500.0 1 0.0 ! always trans for other peptide bonds end