saving forces using loadforces

From: Ragan Robertson (raganr_at_gmail.com)
Date: Sat Dec 11 2004 - 15:39:42 CST

Good day. I am trying to put the array generated using loadforces
into a file to parsed later by another program. I am a newbie at tcl
scripting and seem to be having syntax issues with my code. However,
I am open to different/better methods of obtaining this data. One of
the threads in the list was in regards to obtaining the information
out of the DCD file. Here is the tcl script code that I am trying to
implement:

set t 0
set count 0
proc calcforces { } {
  global count t
  set outfile [open ForcesArray.dat w]

  if{$count==500}{
         loadforces p
         puts $outfile "step $t"
         puts $outfile "$p"
         count = -1
  }
   close $outfile
   incr t
   incr count
    return
}

The error that I get says that the "if" line is bad, but it does not
seem like it. I also wonder about the loadforces command since most
of the issues in the mailing list archive deal with wanting to know
the forces between two atoms/residues. I want the forces acting on
all atoms for step evenly spaced.

Thanks for any help
Ragan Robertson
Columbia University

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:39:02 CST