CHARMM> !generate box setup first none last none noangle nodihedrals
CHARMM> !rewind unit 12
CHARMM> read coor pdb unit 12
read CHARMM-pdb format
SPATIAL COORDINATES BEING READ FROM UNIT 12
TITLE> EQUILIBRATED WATER
TITLE> DATE: 11/20/17 4:21:35 CREATED BY USER: APACHE
TITLE> *
** WARNING ** After reading, there are no coordinates for selected atom: 457 153 TIP3 OH2
** WARNING ** After reading, there are no coordinates for selected atom: 458 153 TIP3 H1
** WARNING ** After reading, there are no coordinates for selected atom: 459 153 TIP3 H2
** WARNING ** After reading, there are no coordinates for selected atom: 469 157 TIP3 OH2
** WARNING ** After reading, there are no coordinates for selected atom: 470 157 TIP3 H1
** WARNING ** After reading, there are no coordinates for selected atom: 471 157 TIP3 H2
** WARNING ** After reading, there are no coordinates for selected atom: 643 215 TIP3 OH2
** WARNING ** After reading, there are no coordinates for selected atom: 644 215 TIP3 H1
** WARNING ** After reading, there are no coordinates for selected atom: 645 215 TIP3 H2
** WARNING ** After reading, there are no coordinates for selected atom: 928 310 TIP3 OH2
** A total of 963 selected atoms have no coordinates