i need to do cluster analysis on a time serie with 72 columns, and i need to create this time serie seperately and store it in a file and then read these data. my problem is, when CHARMM read time series from a file, it can only read the first 200 characters in a line. As all my data is floating number, i use 72f8.3(fortran) to write them into the file, and each line contain 576 characters, exceeding the limit. And thus, CHARMM can only read the first 200 characters, or 200/8=25 column. How to let CHARMM read more columns? thank you for your kind help.
my script is as following:
open unit 11 read form name try72.dat
set i 1
correl maxseries 72 maxtimesteps 100000 maxatom 72
enter pat atom xyz bulk @i oh2
incr i by 1
if i .le. 24 goto loop
edit pat vecc 72
read pat unit 11 dumb
Last edited by parachuter; 12/10/09 03:50 AM.