VMD-L Mailing List

From: namd vmd (namd.vmd_at_gmail.com)
Date: Tue Apr 03 2007 - 07:49:45 CDT

Hi,

I am trying to analyze my NAMD trajectory in charmm. However, charmm gives
me an error, and the charmm lists tell me the following:

================================
For portability between 32-bit and 64-bit machines CHARMM trajectories
should read/write integers
in 32-bits, which on 64-bit machines requires I4BINARY in pref.dat

With GFORTRAN there is also possibly an issue with fortran recordlength
fields in the binary file
not being 32-bit. For this GFORTRAN needs the following flag
 -frecord-marker=4

If NAMD produces something that does not meet these criteria, or if the file
contents differ from a
CHARMM trajectory, there will be problems.
==================================

My questions are"
1. Does NAMD indeed meet the criteria above?
2. If not, is there a way to force this?
3. How can one know if a given trajectory is in 32-bit binary or 64-bit
binary ?
4. can a 64-bit machine write a 32-bit binary?

Sorry for the long title of the email, but it might make future searches
easier. Thank you !