VMD-L Mailing List

From: Marc Baaden (baaden_at_smplinux.de)
Date: Wed May 28 2003 - 13:36:18 CDT

Dear all, and in particular Justin who posted some details about the
IMD interface code recently (thanks a lot, btw).

>>> Justin Gullingsrud said:
>> It should be very straightforward to add IMD capabilities to your MD
>> code so that it can communicate with VMD. [..]

I tried to follow Justin's instructions in order to interface a test
program and later an MD/EM code with VMD. I am unfortunately stuck at
VMD uttering:

vmd > ERROR) Unable to ascertain relative endianness of remote machine

This seems to occur after binding and listening to the socket, when the
line

if (vmdsock_selread(sock, 3600) > 0) { [..]

is called, i.e. in the vmdsock_selread routine. I have looked at it, but
couldn't yet figure out what's going wrong. Any tips from the experts ?

Furthermore, on a more general level, as we intend to release our program
under the GNU license (in the far future, though), how should one do ? Can
the exchange protocol that NAMD/VMD use be considered as "free" (in a GNU
sense) and would you guys who develop VMD/NAMD agree to let people use the
vmsock.[Ch] and imd.[Ch] files as example templates ?

Thanks in advance,
Marc Baaden 

-- 
 Dr. Marc Baaden  - Institut de Biologie Physico-Chimique, Paris
 mailto:baaden_at_smplinux.de      -      http://www.marc-baaden.de
 FAX: +49 697912 39550  -  Tel: +33 15841 5176 ou +33 609 843217