REMARKS Charmm parameter set for water and ions v22 b4 REMARKS FILENAME="20288ca.par" SET ECHO=FALSE END {>>>>>>>>>> Developmental Parameter File for Proteins <<<<<<<<<< >>>>>>>>>>>>>>>>> Using All Hydrogens (ALLH) <<<<<<<<<<<<<<<<<< >>>>>>>>>>>>>>>>>>>>>>> Jan 1993 <<<<<<<<<<<<<<<<<<<<<<<<<<<<<< >>>>>>> Direct comments to Alexander D. MacKerell Jr. <<<<<<<<< >>>>>> 410-706-7442 or bitnet: alex,tammy.harvard.edu <<<<<<<<< These files are a beta release; additional parameter development and testing may lead to alteration of the contents.} !----------------------------------------------------------------------------------------------- ! VARIOUS BOND PARAMETERS: Force Constant, Equilibrium Radius !----------------------------------------------------------------------------------------------- !------------------------------------------------------------------------------------------------------ ! VARIOUS ANGLE PARAMETERS: Force Constant, Equilibrium Angle, Urie-Bradley Force Const., ! U.-B. equilibrium (if any) !------------------------------------------------------------------------------------------------------ !------------------------------------------------------------------------------------------------- ! VAN-DER-VAALS PARAMETERS: Energy Well Depth, Distance of Minimum(div. by 2**1/6) ! for "atoms itself", i.e. for X-X interactions; for X-Y interactions the parameters ! values are taken as arithmetic mean of appropriate "atomic" parameters. ! "(1:4)" values refer to special intramolecular interactions between atoms connected through ! three bonds. These interactions are taken into consideration only when NBXMOD switch is set ! to 5 in NBONDS...END statement, which is taken for default (see 10 lines above). !------------------------------------------------------------------------------------------------- NONBONDED CA .0 .0 .0 .0 ! !--------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------- SET ECHO=TRUE END