--- trunk/OOPSE/utils/sysbuilder/latticeBilayer.cpp 2003/11/21 20:10:02 874 +++ trunk/OOPSE/utils/sysbuilder/latticeBilayer.cpp 2004/01/14 16:28:37 943 @@ -611,8 +611,6 @@ int buildLatticeBilayer(double aLat, int targetNlipids, targetNwaters; double targetWaterLipidRatio; double maxZ, minZ, zHeight; - double maxY, minY; - double maxX, minX; molStart = NULL; @@ -787,36 +785,23 @@ int buildLatticeBilayer(double aLat, } atoms[0]->getPos( myPos ); - - maxX = myPos[0]; - minX = myPos[0]; - - maxY = myPos[1]; - minY = myPos[1]; maxZ = myPos[2]; minZ = myPos[2]; for(i=0;igetPos( myPos ); - minX = (minX > myPos[0]) ? myPos[0] : minX; - maxX = (maxX < myPos[0]) ? myPos[0] : maxX; - minY = (minY > myPos[1]) ? myPos[1] : minY; - maxY = (maxY < myPos[1]) ? myPos[1] : maxY; - minZ = (minZ > myPos[2]) ? myPos[2] : minZ; maxZ = (maxZ < myPos[2]) ? myPos[2] : maxZ; } - boxX = (maxX - minX)+2.0; - boxY = (maxY - minY)+2.0; boxZ = (maxZ - minZ)+2.0; double centerX, centerY, centerZ; - centerX = ((maxX - minX) / 2.0) + minX; - centerY = ((maxY - minY) / 2.0) + minY; + centerX = (boxX / 2.0); + centerY = (boxY / 2.0); centerZ = ((maxZ - minZ) / 2.0) + minZ; // set up water coordinates