remarks file toppar/water-allhdg5-4.param 
remarks
remarks   PARAM19.SOL (solvent parameters)
remarks   ===========
remarks   available: TIPS3P and DMSO model

set message ? end eval ($old_message=$result) set echo ? end eval ($old_echo=$result)
set message=off echo=off end

checkversion 1.3

{* TIP3P model *}
{* =========== *}
BOND HT   OT       1000.0       0.9572    ! equilibrium from TIPS3P geometry, energy constant increased to 1000, ATB 11/18/10
BOND HT   HT          0.0       1.5139    ! not used! 
ANGLE HT   OT   HT  500.0       104.52    ! equilibrium from TIPS3P geometry, energy constant increased to 500, ATB 11/18/10



{* original TIP3P for ALL interactions since we use OPLS for the protein *}
 NONBONDED  OT       .1521   3.1506    .1521   3.1506 ! ALLOW WAT 
						      !TIP3P OXYGEN PARAMETERS, adm jr., NBFIX obsolete 
 NONBONDED  HT       .0460    .4000    .0460    .4000 ! ALLOW WAT 
						      !TIP3P HYDROGEN PARAMETERS, adm jr., NBFIX obsolete 
{*            *} ! DMSO parameters Alexandre Bonvin Utrecht University
{* DMSO model *} ! GROMOS parameters from Liu et al JACS 117:4363 (1995)
{* ========== *}
BOND CDMS SDMS  300.0       1.950 
BOND SDMS ODMS  350.0       1.530

ANGLE CDMS SDMS CDMS   110.0   97.40
ANGLE CDMS SDMS ODMS   110.0  106.75

NONBONDED CDMS  0.2940  3.66  0.2940  3.66
NONBONDED SDMS  0.2384  3.56  0.2384  3.56
NONBONDED ODMS  0.0715  2.63  0.0715  2.63


set message=$old_message echo=$old_echo end