--- src/leap/src/leap/unitio.c.orig 2008-12-17 03:03:13.000000000 -0800 +++ src/leap/src/leap/unitio.c 2009-11-30 16:10:30.000000000 -0800 @@ -5218,7 +5218,11 @@ */ aAtomA = aAtomBondedNeighbor(saPAtom->aAtom, 0); - if( GDefaults.iGBparm == 1 || GDefaults.iGBparm == 2 ) { + if( sAtomType(saPAtom->aAtom) [0] == 'H' && + sAtomType(saPAtom->aAtom) [1] == 'W' ) { + //skip WAT hydrogens + } + else if( GDefaults.iGBparm == 1 || GDefaults.iGBparm == 2 ) { if( sAtomType(aAtomA)[0] == 'C' || sAtomType(aAtomA)[0] == 'c' ) dGBrad = 1.3; if( sAtomType(aAtomA)[0] == 'O' ||