Now always initializes the masses of the atoms to prevent
division by zero downstream.
Change-Id: I1b38ccc7982d4340ed068535f7b7dd8e75e1a4c4
if (bReadTraj) {
/* don't read mass-database as masses (and top) are not used */
read_tps_conf(ftp2fn(efTPS,NFILE,fnm),buf,&top,&ePBC,&xtps,NULL,box,
if (bReadTraj) {
/* don't read mass-database as masses (and top) are not used */
read_tps_conf(ftp2fn(efTPS,NFILE,fnm),buf,&top,&ePBC,&xtps,NULL,box,
if(bPBC) {
gpbc = gmx_rmpbc_init(&top.idef,ePBC,top.atoms.nr,box);
}
if(bPBC) {
gpbc = gmx_rmpbc_init(&top.idef,ePBC,top.atoms.nr,box);
}