Dear all:

I tried to convert a simulation system originally set up using VMD into charmm. Using charmm 40 program, I can read in the protein pdb files without any problem, but could not read in the water pdb file. I got the following error message:

...
A RESIDUE OFFSET OF 601 WILL BE USED.
INFO: A subset of total atoms will be read.

TITLE> *
At line 1626 of file /home/c40/charmm/source/io/coorio.src
Fortran runtime error: Bad value during floating point read

The following is the charmm code to read in the water coordinates from pdb file:

READ SEQU TIP3 29195
GENERATE TIP3 SETUP WARN FIRST NONE LAST NONE NOANGL NODIHE

! Read co-ordinates of tip3
! -------------------------
OPEN READ UNIT 2 CARD NAME tip3p-1.pdb
READ COOR PDB UNIT 2 APPEND
CLOSE UNIT 2


Can someone help me out? Thank you very much.

lz